(2-amino-4-methylpyrimidin-5-yl)-[4-(diethylamino)piperidin-1-yl]methanone

C15H25N5O — CID 95851494

IUPAC(2-amino-4-methylpyrimidin-5-yl)-[4-(diethylamino)piperidin-1-yl]methanone
SMILESCCN(CC)C1CCN(C(=O)c2cnc(N)nc2C)CC1
InChIInChI=1S/C15H25N5O/c1-4-19(5-2)12-6-8-20(9-7-12)14(21)13-10-17-15(16)18-11(13)3/h10,12H,4-9H2,1-3H3,(H2,16,17,18)
InChIKeyRGSSAOHBQBBYIV-UHFFFAOYSA-N
MW291.40 g/mol
LogP1.31
Rot. Bonds4

About (2-amino-4-methylpyrimidin-5-yl)-[4-(diethylamino)piperidin-1-yl]methanone

(2-amino-4-methylpyrimidin-5-yl)-[4-(diethylamino)piperidin-1-yl]methanone (PubChem CID 95851494) has the molecular formula C15H25N5O and a molecular weight of 291.40 g/mol. Its IUPAC name is (2-amino-4-methylpyrimidin-5-yl)-[4-(diethylamino)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(2-amino-4-methylpyrimidin-5-yl)-[4-(diethylamino)piperidin-1-yl]methanone
PubChem CID95851494
Molecular FormulaC15H25N5O
Molecular Weight291.40 g/mol
Exact Mass291.21
IUPAC Name(2-amino-4-methylpyrimidin-5-yl)-[4-(diethylamino)piperidin-1-yl]methanone
SMILESCCN(CC)C1CCN(C(=O)c2cnc(N)nc2C)CC1
InChIInChI=1S/C15H25N5O/c1-4-19(5-2)12-6-8-20(9-7-12)14(21)13-10-17-15(16)18-11(13)3/h10,12H,4-9H2,1-3H3,(H2,16,17,18)
InChIKeyRGSSAOHBQBBYIV-UHFFFAOYSA-N
XLogP1.31
TPSA75.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.40
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2-amino-4-methylpyrimidin-5-yl)-[4-[(R)-hydroxy(pyridin-2-yl)methyl]piperidin-1-yl]methanone
CID 99947231
(3-amino-2-chlorophenyl)-[4-(diethylamino)piperidin-1-yl]methanone
CID 115930393
(5-chloropyrazin-2-yl)-[4-(diethylamino)piperidin-1-yl]methanone
CID 107257837
(2-amino-5-chlorophenyl)-[4-(diethylamino)piperidin-1-yl]methanone
CID 61115199
(4-methylpiperidin-1-yl)-(4-methyl-2-propan-2-ylpyrimidin-5-yl)methanone
CID 100752713
(4-amino-1-methylpyrazol-3-yl)-[4-(diethylamino)piperidin-1-yl]methanone
CID 65354317
N-[(4S)-1-(2-amino-4-methylpyrimidine-5-carbonyl)azepan-4-yl]-3-fluoro-N-methylbenzenesulfonamide
CID 92634930
1-(2,4-dimethylpyrimidine-5-carbonyl)piperidine-4-carboxylic acid
CID 110836362
ethyl 4-[2-(dimethylamino)-4-methylpyrimidine-5-carbonyl]piperazine-1-carboxylate
CID 72879162
(3-amino-1H-pyrazol-5-yl)-[4-(diethylamino)piperidin-1-yl]methanone
CID 64526017
4-(2-amino-4-methylpyrimidine-5-carbonyl)-1-cyclohexylpiperazin-2-one
CID 86287002
(4-amino-3-pyridinyl)-[3-(diethylamino)pyrrolidin-1-yl]methanone
CID 81241912

Frequently Asked Questions

What is the IUPAC name of (2-amino-4-methylpyrimidin-5-yl)-[4-(diethylamino)piperidin-1-yl]methanone?
The IUPAC name of (2-amino-4-methylpyrimidin-5-yl)-[4-(diethylamino)piperidin-1-yl]methanone (CID 95851494) is (2-amino-4-methylpyrimidin-5-yl)-[4-(diethylamino)piperidin-1-yl]methanone.
What is the SMILES notation for (2-amino-4-methylpyrimidin-5-yl)-[4-(diethylamino)piperidin-1-yl]methanone?
The canonical SMILES for (2-amino-4-methylpyrimidin-5-yl)-[4-(diethylamino)piperidin-1-yl]methanone is CCN(CC)C1CCN(C(=O)c2cnc(N)nc2C)CC1.
What is the InChIKey of (2-amino-4-methylpyrimidin-5-yl)-[4-(diethylamino)piperidin-1-yl]methanone?
The InChIKey is RGSSAOHBQBBYIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N5O/c1-4-19(5-2)12-6-8-20(9-7-12)14(21)13-10-17-15(16)18-11(13)3/h10,12H,4-9H2,1-3H3,(H2,16,17,18).
What are the key properties of (2-amino-4-methylpyrimidin-5-yl)-[4-(diethylamino)piperidin-1-yl]methanone?
(2-amino-4-methylpyrimidin-5-yl)-[4-(diethylamino)piperidin-1-yl]methanone has a molecular weight of 291.40 g/mol, XLogP of 1.31, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-4-methylpyrimidin-5-yl)-[4-(diethylamino)piperidin-1-yl]methanone is sourced from PubChem (CID 95851494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).