6-(3-aminocyclobutyl)-N-[(4-fluorophenyl)methyl]-N-methylpyrimidin-4-amine;dihydrochloride

C16H21Cl2FN4 — CID 154903423

IUPAC6-(3-aminocyclobutyl)-N-[(4-fluorophenyl)methyl]-N-methylpyrimidin-4-amine;dihydrochloride
SMILESCN(Cc1ccc(F)cc1)c1cc(C2CC(N)C2)ncn1.Cl.Cl
InChIInChI=1S/C16H19FN4.2ClH/c1-21(9-11-2-4-13(17)5-3-11)16-8-15(19-10-20-16)12-6-14(18)7-12;;/h2-5,8,10,12,14H,6-7,9,18H2,1H3;2*1H
InChIKeyHSRAAGMANQARHV-UHFFFAOYSA-N
MW359.28 g/mol
LogP3.30
Rot. Bonds4

About 6-(3-aminocyclobutyl)-N-[(4-fluorophenyl)methyl]-N-methylpyrimidin-4-amine;dihydrochloride

6-(3-aminocyclobutyl)-N-[(4-fluorophenyl)methyl]-N-methylpyrimidin-4-amine;dihydrochloride (PubChem CID 154903423) has the molecular formula C16H21Cl2FN4 and a molecular weight of 359.28 g/mol. Its IUPAC name is 6-(3-aminocyclobutyl)-N-[(4-fluorophenyl)methyl]-N-methylpyrimidin-4-amine;dihydrochloride.

Molecular Properties

Compound Name6-(3-aminocyclobutyl)-N-[(4-fluorophenyl)methyl]-N-methylpyrimidin-4-amine;dihydrochloride
PubChem CID154903423
Molecular FormulaC16H21Cl2FN4
Molecular Weight359.28 g/mol
Exact Mass358.11
IUPAC Name6-(3-aminocyclobutyl)-N-[(4-fluorophenyl)methyl]-N-methylpyrimidin-4-amine;dihydrochloride
SMILESCN(Cc1ccc(F)cc1)c1cc(C2CC(N)C2)ncn1.Cl.Cl
InChIInChI=1S/C16H19FN4.2ClH/c1-21(9-11-2-4-13(17)5-3-11)16-8-15(19-10-20-16)12-6-14(18)7-12;;/h2-5,8,10,12,14H,6-7,9,18H2,1H3;2*1H
InChIKeyHSRAAGMANQARHV-UHFFFAOYSA-N
XLogP3.30
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.28
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-(3-aminocyclobutyl)-N-methyl-N-[[2-(methylamino)pyrimidin-5-yl]methyl]pyrimidin-4-amine;dihydrochloride
CID 154903096
6-(3-aminocyclobutyl)-N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-N-methylpyrimidin-4-amine;dihydrochloride
CID 154902391
6-(3-aminocyclobutyl)-N-methyl-N-(quinolin-3-ylmethyl)pyrimidin-4-amine
CID 91791964
6-(3-aminocyclobutyl)-N-methyl-N-(1,3-thiazol-2-ylmethyl)pyrimidin-4-amine;dihydrochloride
CID 154902032
6-(3-aminocyclobutyl)-N-(1H-benzimidazol-2-ylmethyl)-N-methylpyrimidin-4-amine;dihydrochloride
CID 154902450
3-[6-[benzyl(methyl)amino]pyrimidin-4-yl]cyclobutan-1-ol
CID 91775340
6-(3-aminocyclobutyl)-N-[(5-cyclopropyl-1,2-oxazol-3-yl)methyl]-N-methylpyrimidin-4-amine;dihydrochloride
CID 154902047
6-(3-aminocyclobutyl)-N-[(3,5-dimethylpyrazolidin-4-yl)methyl]-N-methylpyrimidin-4-amine
CID 133268536
6-(3-aminocyclobutyl)-N-[(8-methoxyquinolin-5-yl)methyl]-N-methylpyrimidin-4-amine;dihydrochloride
CID 154902558
6-(3-aminocyclobutyl)-N-(3-methoxypropyl)-N-methylpyrimidin-4-amine
CID 91792506
6-(3-aminocyclobutyl)-4-N-[(4-methoxyphenyl)methyl]-4-N-methylpyrimidine-2,4-diamine
CID 91767141
6-(3-aminocyclobutyl)-N-methyl-N-[2-(oxan-4-yl)ethyl]pyrimidin-4-amine;dihydrochloride
CID 154901907

Frequently Asked Questions

What is the IUPAC name of 6-(3-aminocyclobutyl)-N-[(4-fluorophenyl)methyl]-N-methylpyrimidin-4-amine;dihydrochloride?
The IUPAC name of 6-(3-aminocyclobutyl)-N-[(4-fluorophenyl)methyl]-N-methylpyrimidin-4-amine;dihydrochloride (CID 154903423) is 6-(3-aminocyclobutyl)-N-[(4-fluorophenyl)methyl]-N-methylpyrimidin-4-amine;dihydrochloride.
What is the SMILES notation for 6-(3-aminocyclobutyl)-N-[(4-fluorophenyl)methyl]-N-methylpyrimidin-4-amine;dihydrochloride?
The canonical SMILES for 6-(3-aminocyclobutyl)-N-[(4-fluorophenyl)methyl]-N-methylpyrimidin-4-amine;dihydrochloride is CN(Cc1ccc(F)cc1)c1cc(C2CC(N)C2)ncn1.Cl.Cl.
What is the InChIKey of 6-(3-aminocyclobutyl)-N-[(4-fluorophenyl)methyl]-N-methylpyrimidin-4-amine;dihydrochloride?
The InChIKey is HSRAAGMANQARHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN4.2ClH/c1-21(9-11-2-4-13(17)5-3-11)16-8-15(19-10-20-16)12-6-14(18)7-12;;/h2-5,8,10,12,14H,6-7,9,18H2,1H3;2*1H.
What are the key properties of 6-(3-aminocyclobutyl)-N-[(4-fluorophenyl)methyl]-N-methylpyrimidin-4-amine;dihydrochloride?
6-(3-aminocyclobutyl)-N-[(4-fluorophenyl)methyl]-N-methylpyrimidin-4-amine;dihydrochloride has a molecular weight of 359.28 g/mol, XLogP of 3.30, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-aminocyclobutyl)-N-[(4-fluorophenyl)methyl]-N-methylpyrimidin-4-amine;dihydrochloride is sourced from PubChem (CID 154903423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).