2-amino-4-methyl-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]pyrimidine-5-carboxamide

C18H23N5O — CID 91798076

IUPAC2-amino-4-methyl-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]pyrimidine-5-carboxamide
SMILESCc1nc(N)ncc1C(=O)NCc1ccc(CN2CCCC2)cc1
InChIInChI=1S/C18H23N5O/c1-13-16(11-21-18(19)22-13)17(24)20-10-14-4-6-15(7-5-14)12-23-8-2-3-9-23/h4-7,11H,2-3,8-10,12H2,1H3,(H,20,24)(H2,19,21,22)
InChIKeyWKTJYTGVBNVTIV-UHFFFAOYSA-N
MW325.42 g/mol
LogP1.89
Rot. Bonds5

About 2-amino-4-methyl-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]pyrimidine-5-carboxamide

2-amino-4-methyl-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]pyrimidine-5-carboxamide (PubChem CID 91798076) has the molecular formula C18H23N5O and a molecular weight of 325.42 g/mol. Its IUPAC name is 2-amino-4-methyl-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-amino-4-methyl-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]pyrimidine-5-carboxamide
PubChem CID91798076
Molecular FormulaC18H23N5O
Molecular Weight325.42 g/mol
Exact Mass325.19
IUPAC Name2-amino-4-methyl-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]pyrimidine-5-carboxamide
SMILESCc1nc(N)ncc1C(=O)NCc1ccc(CN2CCCC2)cc1
InChIInChI=1S/C18H23N5O/c1-13-16(11-21-18(19)22-13)17(24)20-10-14-4-6-15(7-5-14)12-23-8-2-3-9-23/h4-7,11H,2-3,8-10,12H2,1H3,(H,20,24)(H2,19,21,22)
InChIKeyWKTJYTGVBNVTIV-UHFFFAOYSA-N
XLogP1.89
TPSA84.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.42
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-N-benzyl-4-methylpyrimidine-5-carboxamide
CID 1487920
4-amino-N-[[4-(azepan-1-ylmethyl)phenyl]methyl]pyrimidine-5-carboxamide
CID 126778035
4-methyl-N-[(4-methylphenyl)methyl]-2-piperidin-1-ylpyrimidine-5-carboxamide
CID 66505324
N-[(4-chlorophenyl)methyl]-2,4-dimethylpyrimidine-5-carboxamide
CID 53007174
5-oxo-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 17450811
4-(piperidin-1-ylmethyl)-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]benzamide
CID 24654968
4-methyl-N-[[3-(piperidin-1-ylmethyl)phenyl]methyl]pyrimidine-5-carboxamide
CID 46971543
N-[(4-fluorophenyl)methyl]-2-[(2S)-1-[(4-fluorophenyl)methyl]piperidin-2-yl]-4-methylpyrimidine-5-carboxamide
CID 92639751
N-[(4-fluorophenyl)methyl]-2-[1-[(4-fluorophenyl)methyl]piperidin-2-yl]-4-methylpyrimidine-5-carboxamide
CID 110247725
2,4,5-trimethyl-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]furan-3-carboxamide
CID 38710650
N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]pyridine-2-carboxamide
CID 18119444
N-[(4-fluorophenyl)methyl]-4-methyl-2-[1-(2-pyrrolidin-1-ylacetyl)piperidin-4-yl]pyrimidine-5-carboxamide
CID 110084882

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-methyl-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]pyrimidine-5-carboxamide?
The IUPAC name of 2-amino-4-methyl-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]pyrimidine-5-carboxamide (CID 91798076) is 2-amino-4-methyl-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]pyrimidine-5-carboxamide.
What is the SMILES notation for 2-amino-4-methyl-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]pyrimidine-5-carboxamide?
The canonical SMILES for 2-amino-4-methyl-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]pyrimidine-5-carboxamide is Cc1nc(N)ncc1C(=O)NCc1ccc(CN2CCCC2)cc1.
What is the InChIKey of 2-amino-4-methyl-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]pyrimidine-5-carboxamide?
The InChIKey is WKTJYTGVBNVTIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5O/c1-13-16(11-21-18(19)22-13)17(24)20-10-14-4-6-15(7-5-14)12-23-8-2-3-9-23/h4-7,11H,2-3,8-10,12H2,1H3,(H,20,24)(H2,19,21,22).
What are the key properties of 2-amino-4-methyl-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]pyrimidine-5-carboxamide?
2-amino-4-methyl-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]pyrimidine-5-carboxamide has a molecular weight of 325.42 g/mol, XLogP of 1.89, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-methyl-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]pyrimidine-5-carboxamide is sourced from PubChem (CID 91798076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).