6-(3-aminocyclobutyl)-N-[(5-fluoro-1H-indol-2-yl)methyl]-2-(methoxymethyl)-N-methylpyrimidin-4-amine;dihydrochloride

C20H26Cl2FN5O — CID 154902367

IUPAC6-(3-aminocyclobutyl)-N-[(5-fluoro-1H-indol-2-yl)methyl]-2-(methoxymethyl)-N-methylpyrimidin-4-amine;dihydrochloride
SMILESCOCc1nc(C2CC(N)C2)cc(N(C)Cc2cc3cc(F)ccc3[nH]2)n1.Cl.Cl
InChIInChI=1S/C20H24FN5O.2ClH/c1-26(10-16-8-12-5-14(21)3-4-17(12)23-16)20-9-18(13-6-15(22)7-13)24-19(25-20)11-27-2;;/h3-5,8-9,13,15,23H,6-7,10-11,22H2,1-2H3;2*1H
InChIKeyCOEIYVRHKMGBDJ-UHFFFAOYSA-N
MW442.37 g/mol
LogP3.93
Rot. Bonds6

About 6-(3-aminocyclobutyl)-N-[(5-fluoro-1H-indol-2-yl)methyl]-2-(methoxymethyl)-N-methylpyrimidin-4-amine;dihydrochloride

6-(3-aminocyclobutyl)-N-[(5-fluoro-1H-indol-2-yl)methyl]-2-(methoxymethyl)-N-methylpyrimidin-4-amine;dihydrochloride (PubChem CID 154902367) has the molecular formula C20H26Cl2FN5O and a molecular weight of 442.37 g/mol. Its IUPAC name is 6-(3-aminocyclobutyl)-N-[(5-fluoro-1H-indol-2-yl)methyl]-2-(methoxymethyl)-N-methylpyrimidin-4-amine;dihydrochloride.

Molecular Properties

Compound Name6-(3-aminocyclobutyl)-N-[(5-fluoro-1H-indol-2-yl)methyl]-2-(methoxymethyl)-N-methylpyrimidin-4-amine;dihydrochloride
PubChem CID154902367
Molecular FormulaC20H26Cl2FN5O
Molecular Weight442.37 g/mol
Exact Mass441.15
IUPAC Name6-(3-aminocyclobutyl)-N-[(5-fluoro-1H-indol-2-yl)methyl]-2-(methoxymethyl)-N-methylpyrimidin-4-amine;dihydrochloride
SMILESCOCc1nc(C2CC(N)C2)cc(N(C)Cc2cc3cc(F)ccc3[nH]2)n1.Cl.Cl
InChIInChI=1S/C20H24FN5O.2ClH/c1-26(10-16-8-12-5-14(21)3-4-17(12)23-16)20-9-18(13-6-15(22)7-13)24-19(25-20)11-27-2;;/h3-5,8-9,13,15,23H,6-7,10-11,22H2,1-2H3;2*1H
InChIKeyCOEIYVRHKMGBDJ-UHFFFAOYSA-N
XLogP3.93
TPSA80.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.37
LogP ≤ 53.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-(3-aminocyclobutyl)-N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-2-(methoxymethyl)-N-methylpyrimidin-4-amine;dihydrochloride
CID 154902611
2-[[[6-(3-aminocyclobutyl)-2-(methoxymethyl)pyrimidin-4-yl]-methylamino]methyl]-3H-quinazolin-4-one;dihydrochloride
CID 154902812
6-(3-aminocyclobutyl)-2-(methoxymethyl)-N-methyl-N-[2-(4-methyl-1H-benzimidazol-2-yl)ethyl]pyrimidin-4-amine;dihydrochloride
CID 154903388
2-[[[6-(3-aminocyclobutyl)-2-(methoxymethyl)pyrimidin-4-yl]-methylamino]methyl]-3H-quinazolin-4-one
CID 136664824
6-(3-aminocyclobutyl)-N-[(5-tert-butylpyrazolidin-3-yl)methyl]-2-(methoxymethyl)-N-methylpyrimidin-4-amine
CID 133264661
6-(3-aminocyclobutyl)-N-[(4-fluorophenyl)methyl]-N-methylpyrimidin-4-amine;dihydrochloride
CID 154903423
1-(5-fluoro-1H-indol-2-yl)-N-[(2-methoxypyrimidin-5-yl)methyl]-N-methylmethanamine
CID 50968655
6-(3-aminocyclobutyl)-4-N-methyl-4-N-[(3-propyl-1H-pyrazol-5-yl)methyl]pyrimidine-2,4-diamine;dihydrochloride
CID 154902804
6-(3-aminocyclobutyl)-4-N-[(4-methoxyphenyl)methyl]-4-N-methylpyrimidine-2,4-diamine
CID 91767141
6-(3-aminocyclobutyl)-N-(1H-benzimidazol-2-ylmethyl)-2-cyclopropyl-N-methylpyrimidin-4-amine
CID 91771660
6-(3-aminocyclobutyl)-4-N-(3-methoxypropyl)-4-N-methylpyrimidine-2,4-diamine;dihydrochloride
CID 154902244
4-[6-(3-aminocyclobutyl)-2-(methoxymethyl)pyrimidin-4-yl]-N,N-dimethylpiperazine-1-sulfonamide;dihydrochloride
CID 154902331

Frequently Asked Questions

What is the IUPAC name of 6-(3-aminocyclobutyl)-N-[(5-fluoro-1H-indol-2-yl)methyl]-2-(methoxymethyl)-N-methylpyrimidin-4-amine;dihydrochloride?
The IUPAC name of 6-(3-aminocyclobutyl)-N-[(5-fluoro-1H-indol-2-yl)methyl]-2-(methoxymethyl)-N-methylpyrimidin-4-amine;dihydrochloride (CID 154902367) is 6-(3-aminocyclobutyl)-N-[(5-fluoro-1H-indol-2-yl)methyl]-2-(methoxymethyl)-N-methylpyrimidin-4-amine;dihydrochloride.
What is the SMILES notation for 6-(3-aminocyclobutyl)-N-[(5-fluoro-1H-indol-2-yl)methyl]-2-(methoxymethyl)-N-methylpyrimidin-4-amine;dihydrochloride?
The canonical SMILES for 6-(3-aminocyclobutyl)-N-[(5-fluoro-1H-indol-2-yl)methyl]-2-(methoxymethyl)-N-methylpyrimidin-4-amine;dihydrochloride is COCc1nc(C2CC(N)C2)cc(N(C)Cc2cc3cc(F)ccc3[nH]2)n1.Cl.Cl.
What is the InChIKey of 6-(3-aminocyclobutyl)-N-[(5-fluoro-1H-indol-2-yl)methyl]-2-(methoxymethyl)-N-methylpyrimidin-4-amine;dihydrochloride?
The InChIKey is COEIYVRHKMGBDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24FN5O.2ClH/c1-26(10-16-8-12-5-14(21)3-4-17(12)23-16)20-9-18(13-6-15(22)7-13)24-19(25-20)11-27-2;;/h3-5,8-9,13,15,23H,6-7,10-11,22H2,1-2H3;2*1H.
What are the key properties of 6-(3-aminocyclobutyl)-N-[(5-fluoro-1H-indol-2-yl)methyl]-2-(methoxymethyl)-N-methylpyrimidin-4-amine;dihydrochloride?
6-(3-aminocyclobutyl)-N-[(5-fluoro-1H-indol-2-yl)methyl]-2-(methoxymethyl)-N-methylpyrimidin-4-amine;dihydrochloride has a molecular weight of 442.37 g/mol, XLogP of 3.93, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-aminocyclobutyl)-N-[(5-fluoro-1H-indol-2-yl)methyl]-2-(methoxymethyl)-N-methylpyrimidin-4-amine;dihydrochloride is sourced from PubChem (CID 154902367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).