2-amino-N-[[2-[benzyl(methyl)amino]-3-pyridinyl]methyl]-6-methylpyrimidine-4-carboxamide

C20H22N6O — CID 42594163

IUPAC2-amino-N-[[2-[benzyl(methyl)amino]-3-pyridinyl]methyl]-6-methylpyrimidine-4-carboxamide
SMILESCc1cc(C(=O)NCc2cccnc2N(C)Cc2ccccc2)nc(N)n1
InChIInChI=1S/C20H22N6O/c1-14-11-17(25-20(21)24-14)19(27)23-12-16-9-6-10-22-18(16)26(2)13-15-7-4-3-5-8-15/h3-11H,12-13H2,1-2H3,(H,23,27)(H2,21,24,25)
InChIKeyDIBOUCJYVDZDDW-UHFFFAOYSA-N
MW362.44 g/mol
LogP2.33
Rot. Bonds6

About 2-amino-N-[[2-[benzyl(methyl)amino]-3-pyridinyl]methyl]-6-methylpyrimidine-4-carboxamide

2-amino-N-[[2-[benzyl(methyl)amino]-3-pyridinyl]methyl]-6-methylpyrimidine-4-carboxamide (PubChem CID 42594163) has the molecular formula C20H22N6O and a molecular weight of 362.44 g/mol. Its IUPAC name is 2-amino-N-[[2-[benzyl(methyl)amino]-3-pyridinyl]methyl]-6-methylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-amino-N-[[2-[benzyl(methyl)amino]-3-pyridinyl]methyl]-6-methylpyrimidine-4-carboxamide
PubChem CID42594163
Molecular FormulaC20H22N6O
Molecular Weight362.44 g/mol
Exact Mass362.19
IUPAC Name2-amino-N-[[2-[benzyl(methyl)amino]-3-pyridinyl]methyl]-6-methylpyrimidine-4-carboxamide
SMILESCc1cc(C(=O)NCc2cccnc2N(C)Cc2ccccc2)nc(N)n1
InChIInChI=1S/C20H22N6O/c1-14-11-17(25-20(21)24-14)19(27)23-12-16-9-6-10-22-18(16)26(2)13-15-7-4-3-5-8-15/h3-11H,12-13H2,1-2H3,(H,23,27)(H2,21,24,25)
InChIKeyDIBOUCJYVDZDDW-UHFFFAOYSA-N
XLogP2.33
TPSA97.03 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.44
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N'-[[2-[benzyl(methyl)amino]-3-pyridinyl]methyl]oxamide
CID 56738405
3-amino-N-[[2-[benzyl(methyl)amino]-3-pyridinyl]methyl]butanamide
CID 56760437
N-[[2-[benzyl(methyl)amino]-3-pyridinyl]methyl]-2-methyl-6-oxo-1H-pyrimidine-5-carboxamide
CID 56747207
2-[benzyl(methyl)amino]-N-[(2-methoxyphenyl)methyl]-6-methylpyrimidine-4-carboxamide
CID 109328208
N-[[2-[benzyl(methyl)amino]-3-pyridinyl]methyl]-4-chloro-1H-pyrazole-5-carboxamide
CID 56753833
N-[[2-[benzyl(methyl)amino]-3-pyridinyl]methyl]-2-(2-methylimidazol-1-yl)propanamide
CID 45253207
N-[[2-[benzyl(methyl)amino]-3-pyridinyl]methyl]-5-cyclopropyl-1,3-oxazole-4-carboxamide
CID 25303205
N-benzyl-4-[benzyl(methyl)amino]-6-methylpyrazolo[1,5-a]pyrazine-2-carboxamide
CID 91908395
1-[[2-[benzyl(methyl)amino]-3-pyridinyl]methyl]-3-(1,1-dioxothiolan-3-yl)urea
CID 45192521
(3R)-N-[[2-[benzyl(methyl)amino]-3-pyridinyl]methyl]-3-methylpiperidine-3-carboxamide
CID 95223621
N-[[2-[benzyl(methyl)amino]-3-pyridinyl]methyl]-2-[(3S)-1,1-dioxothiolan-3-yl]acetamide
CID 42147194
4-[benzyl(methyl)amino]-N-[(3,5-difluorophenyl)methyl]-6-methylpyrazolo[1,5-a]pyrazine-2-carboxamide
CID 91908402

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[[2-[benzyl(methyl)amino]-3-pyridinyl]methyl]-6-methylpyrimidine-4-carboxamide?
The IUPAC name of 2-amino-N-[[2-[benzyl(methyl)amino]-3-pyridinyl]methyl]-6-methylpyrimidine-4-carboxamide (CID 42594163) is 2-amino-N-[[2-[benzyl(methyl)amino]-3-pyridinyl]methyl]-6-methylpyrimidine-4-carboxamide.
What is the SMILES notation for 2-amino-N-[[2-[benzyl(methyl)amino]-3-pyridinyl]methyl]-6-methylpyrimidine-4-carboxamide?
The canonical SMILES for 2-amino-N-[[2-[benzyl(methyl)amino]-3-pyridinyl]methyl]-6-methylpyrimidine-4-carboxamide is Cc1cc(C(=O)NCc2cccnc2N(C)Cc2ccccc2)nc(N)n1.
What is the InChIKey of 2-amino-N-[[2-[benzyl(methyl)amino]-3-pyridinyl]methyl]-6-methylpyrimidine-4-carboxamide?
The InChIKey is DIBOUCJYVDZDDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N6O/c1-14-11-17(25-20(21)24-14)19(27)23-12-16-9-6-10-22-18(16)26(2)13-15-7-4-3-5-8-15/h3-11H,12-13H2,1-2H3,(H,23,27)(H2,21,24,25).
What are the key properties of 2-amino-N-[[2-[benzyl(methyl)amino]-3-pyridinyl]methyl]-6-methylpyrimidine-4-carboxamide?
2-amino-N-[[2-[benzyl(methyl)amino]-3-pyridinyl]methyl]-6-methylpyrimidine-4-carboxamide has a molecular weight of 362.44 g/mol, XLogP of 2.33, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[[2-[benzyl(methyl)amino]-3-pyridinyl]methyl]-6-methylpyrimidine-4-carboxamide is sourced from PubChem (CID 42594163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).