6-(3-aminocyclobutyl)-4-N-methyl-4-N-[(2-pyrazol-1-ylphenyl)methyl]pyrimidine-2,4-diamine;dihydrochloride

C19H25Cl2N7 — CID 154902343

IUPAC6-(3-aminocyclobutyl)-4-N-methyl-4-N-[(2-pyrazol-1-ylphenyl)methyl]pyrimidine-2,4-diamine;dihydrochloride
SMILESCN(Cc1ccccc1-n1cccn1)c1cc(C2CC(N)C2)nc(N)n1.Cl.Cl
InChIInChI=1S/C19H23N7.2ClH/c1-25(12-13-5-2-3-6-17(13)26-8-4-7-22-26)18-11-16(23-19(21)24-18)14-9-15(20)10-14;;/h2-8,11,14-15H,9-10,12,20H2,1H3,(H2,21,23,24);2*1H
InChIKeyLVYQTMGKUGVKMR-UHFFFAOYSA-N
MW422.36 g/mol
LogP2.93
Rot. Bonds5

About 6-(3-aminocyclobutyl)-4-N-methyl-4-N-[(2-pyrazol-1-ylphenyl)methyl]pyrimidine-2,4-diamine;dihydrochloride

6-(3-aminocyclobutyl)-4-N-methyl-4-N-[(2-pyrazol-1-ylphenyl)methyl]pyrimidine-2,4-diamine;dihydrochloride (PubChem CID 154902343) has the molecular formula C19H25Cl2N7 and a molecular weight of 422.36 g/mol. Its IUPAC name is 6-(3-aminocyclobutyl)-4-N-methyl-4-N-[(2-pyrazol-1-ylphenyl)methyl]pyrimidine-2,4-diamine;dihydrochloride.

Molecular Properties

Compound Name6-(3-aminocyclobutyl)-4-N-methyl-4-N-[(2-pyrazol-1-ylphenyl)methyl]pyrimidine-2,4-diamine;dihydrochloride
PubChem CID154902343
Molecular FormulaC19H25Cl2N7
Molecular Weight422.36 g/mol
Exact Mass421.15
IUPAC Name6-(3-aminocyclobutyl)-4-N-methyl-4-N-[(2-pyrazol-1-ylphenyl)methyl]pyrimidine-2,4-diamine;dihydrochloride
SMILESCN(Cc1ccccc1-n1cccn1)c1cc(C2CC(N)C2)nc(N)n1.Cl.Cl
InChIInChI=1S/C19H23N7.2ClH/c1-25(12-13-5-2-3-6-17(13)26-8-4-7-22-26)18-11-16(23-19(21)24-18)14-9-15(20)10-14;;/h2-8,11,14-15H,9-10,12,20H2,1H3,(H2,21,23,24);2*1H
InChIKeyLVYQTMGKUGVKMR-UHFFFAOYSA-N
XLogP2.93
TPSA98.88 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.36
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

6-(3-aminocyclobutyl)-4-N-methyl-4-N-(quinolin-5-ylmethyl)pyrimidine-2,4-diamine
CID 91778439
6-(3-aminocyclobutyl)-4-N-methyl-4-N-(1,3-thiazol-2-ylmethyl)pyrimidine-2,4-diamine;dihydrochloride
CID 154902159
6-(3-aminocyclobutyl)-4-N-(2-indol-1-ylethyl)-4-N-methylpyrimidine-2,4-diamine
CID 91787968
6-(3-aminocyclobutyl)-4-N-[(4-methoxyphenyl)methyl]-4-N-methylpyrimidine-2,4-diamine
CID 91767141
6-(3-aminocyclobutyl)-4-N-methyl-4-N-(2-pyridin-2-ylethyl)pyrimidine-2,4-diamine
CID 91767683
6-(3-aminocyclobutyl)-4-N-[(5-chloro-2-ethoxyphenyl)methyl]-4-N-methylpyrimidine-2,4-diamine;dihydrochloride
CID 154902027
6-(3-aminocyclobutyl)-4-N-methyl-4-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrimidine-2,4-diamine
CID 91795368
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-[(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)methyl]-4-N-methylpyrimidine-2,4-diamine
CID 91789045
6-(3-aminocyclobutyl)-4-N-(3-methoxypropyl)-4-N-methylpyrimidine-2,4-diamine;dihydrochloride
CID 154902244
N-methyl-N-[(2-pyrazol-1-ylphenyl)methyl]hydroxylamine
CID 82608522
3-[[2-amino-6-(3-aminocyclobutyl)pyrimidin-4-yl]-methylamino]-N-methylpropanamide
CID 91766904

Frequently Asked Questions

What is the IUPAC name of 6-(3-aminocyclobutyl)-4-N-methyl-4-N-[(2-pyrazol-1-ylphenyl)methyl]pyrimidine-2,4-diamine;dihydrochloride?
The IUPAC name of 6-(3-aminocyclobutyl)-4-N-methyl-4-N-[(2-pyrazol-1-ylphenyl)methyl]pyrimidine-2,4-diamine;dihydrochloride (CID 154902343) is 6-(3-aminocyclobutyl)-4-N-methyl-4-N-[(2-pyrazol-1-ylphenyl)methyl]pyrimidine-2,4-diamine;dihydrochloride.
What is the SMILES notation for 6-(3-aminocyclobutyl)-4-N-methyl-4-N-[(2-pyrazol-1-ylphenyl)methyl]pyrimidine-2,4-diamine;dihydrochloride?
The canonical SMILES for 6-(3-aminocyclobutyl)-4-N-methyl-4-N-[(2-pyrazol-1-ylphenyl)methyl]pyrimidine-2,4-diamine;dihydrochloride is CN(Cc1ccccc1-n1cccn1)c1cc(C2CC(N)C2)nc(N)n1.Cl.Cl.
What is the InChIKey of 6-(3-aminocyclobutyl)-4-N-methyl-4-N-[(2-pyrazol-1-ylphenyl)methyl]pyrimidine-2,4-diamine;dihydrochloride?
The InChIKey is LVYQTMGKUGVKMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N7.2ClH/c1-25(12-13-5-2-3-6-17(13)26-8-4-7-22-26)18-11-16(23-19(21)24-18)14-9-15(20)10-14;;/h2-8,11,14-15H,9-10,12,20H2,1H3,(H2,21,23,24);2*1H.
What are the key properties of 6-(3-aminocyclobutyl)-4-N-methyl-4-N-[(2-pyrazol-1-ylphenyl)methyl]pyrimidine-2,4-diamine;dihydrochloride?
6-(3-aminocyclobutyl)-4-N-methyl-4-N-[(2-pyrazol-1-ylphenyl)methyl]pyrimidine-2,4-diamine;dihydrochloride has a molecular weight of 422.36 g/mol, XLogP of 2.93, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-aminocyclobutyl)-4-N-methyl-4-N-[(2-pyrazol-1-ylphenyl)methyl]pyrimidine-2,4-diamine;dihydrochloride is sourced from PubChem (CID 154902343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).