2-amino-6-methyl-N-[(3R)-1-(2-phenylethyl)piperidin-3-yl]pyrimidine-4-carboxamide

C19H25N5O — CID 42309159

IUPAC2-amino-6-methyl-N-[(3R)-1-(2-phenylethyl)piperidin-3-yl]pyrimidine-4-carboxamide
SMILESCc1cc(C(=O)N[C@@H]2CCCN(CCc3ccccc3)C2)nc(N)n1
InChIInChI=1S/C19H25N5O/c1-14-12-17(23-19(20)21-14)18(25)22-16-8-5-10-24(13-16)11-9-15-6-3-2-4-7-15/h2-4,6-7,12,16H,5,8-11,13H2,1H3,(H,22,25)(H2,20,21,23)/t16-/m1/s1
InChIKeyKSYGVNGKKKLNQK-MRXNPFEDSA-N
MW339.44 g/mol
LogP1.80
Rot. Bonds5

About 2-amino-6-methyl-N-[(3R)-1-(2-phenylethyl)piperidin-3-yl]pyrimidine-4-carboxamide

2-amino-6-methyl-N-[(3R)-1-(2-phenylethyl)piperidin-3-yl]pyrimidine-4-carboxamide (PubChem CID 42309159) has the molecular formula C19H25N5O and a molecular weight of 339.44 g/mol. Its IUPAC name is 2-amino-6-methyl-N-[(3R)-1-(2-phenylethyl)piperidin-3-yl]pyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-amino-6-methyl-N-[(3R)-1-(2-phenylethyl)piperidin-3-yl]pyrimidine-4-carboxamide
PubChem CID42309159
Molecular FormulaC19H25N5O
Molecular Weight339.44 g/mol
Exact Mass339.21
IUPAC Name2-amino-6-methyl-N-[(3R)-1-(2-phenylethyl)piperidin-3-yl]pyrimidine-4-carboxamide
SMILESCc1cc(C(=O)N[C@@H]2CCCN(CCc3ccccc3)C2)nc(N)n1
InChIInChI=1S/C19H25N5O/c1-14-12-17(23-19(20)21-14)18(25)22-16-8-5-10-24(13-16)11-9-15-6-3-2-4-7-15/h2-4,6-7,12,16H,5,8-11,13H2,1H3,(H,22,25)(H2,20,21,23)/t16-/m1/s1
InChIKeyKSYGVNGKKKLNQK-MRXNPFEDSA-N
XLogP1.80
TPSA84.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5,7-dimethyl-N-[(3R)-1-(2-phenylethyl)piperidin-3-yl]pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 25456242
1-methyl-6-oxo-N-[1-(2-phenylethyl)piperidin-3-yl]pyridazine-3-carboxamide
CID 45229509
3,4,5-trimethoxy-N-[1-(2-phenylethyl)piperidin-3-yl]benzamide
CID 45205527
N-[(3S)-1-(2-phenylethyl)piperidin-3-yl]pyridine-4-carboxamide
CID 25460236
N-[1-(3-phenylpropyl)piperidin-3-yl]acetamide
CID 171328429
N-[(3S)-1-(2-phenylethyl)piperidin-3-yl]-1H-indole-3-carboxamide
CID 42512291
2-oxo-N-[1-(2-phenylethyl)piperidin-3-yl]chromene-3-carboxamide
CID 45195643
2-(4-benzylpiperazin-1-yl)-N-cyclopentyl-6-methylpyrimidine-4-carboxamide
CID 109322138
4-oxo-N-[1-(2-phenylethyl)piperidin-3-yl]-3H-phthalazine-1-carboxamide
CID 45178007
4,6-dimethyl-N-[1-(3-phenylpropyl)piperidin-3-yl]pyrimidin-2-amine
CID 70779671
4-N,6-dimethyl-2-N-[(3R)-1-(2-phenylethyl)piperidin-3-yl]pyrimidine-2,4-diamine
CID 95891656
N-cycloheptyl-6-methyl-2-(3-phenylpropylamino)pyrimidine-4-carboxamide
CID 109332449

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-methyl-N-[(3R)-1-(2-phenylethyl)piperidin-3-yl]pyrimidine-4-carboxamide?
The IUPAC name of 2-amino-6-methyl-N-[(3R)-1-(2-phenylethyl)piperidin-3-yl]pyrimidine-4-carboxamide (CID 42309159) is 2-amino-6-methyl-N-[(3R)-1-(2-phenylethyl)piperidin-3-yl]pyrimidine-4-carboxamide.
What is the SMILES notation for 2-amino-6-methyl-N-[(3R)-1-(2-phenylethyl)piperidin-3-yl]pyrimidine-4-carboxamide?
The canonical SMILES for 2-amino-6-methyl-N-[(3R)-1-(2-phenylethyl)piperidin-3-yl]pyrimidine-4-carboxamide is Cc1cc(C(=O)N[C@@H]2CCCN(CCc3ccccc3)C2)nc(N)n1.
What is the InChIKey of 2-amino-6-methyl-N-[(3R)-1-(2-phenylethyl)piperidin-3-yl]pyrimidine-4-carboxamide?
The InChIKey is KSYGVNGKKKLNQK-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H25N5O/c1-14-12-17(23-19(20)21-14)18(25)22-16-8-5-10-24(13-16)11-9-15-6-3-2-4-7-15/h2-4,6-7,12,16H,5,8-11,13H2,1H3,(H,22,25)(H2,20,21,23)/t16-/m1/s1.
What are the key properties of 2-amino-6-methyl-N-[(3R)-1-(2-phenylethyl)piperidin-3-yl]pyrimidine-4-carboxamide?
2-amino-6-methyl-N-[(3R)-1-(2-phenylethyl)piperidin-3-yl]pyrimidine-4-carboxamide has a molecular weight of 339.44 g/mol, XLogP of 1.80, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-methyl-N-[(3R)-1-(2-phenylethyl)piperidin-3-yl]pyrimidine-4-carboxamide is sourced from PubChem (CID 42309159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).