6-ethyl-4-N-[(3S,4R)-4-methoxypiperidin-3-yl]-2-N,2-N-dimethylpyrimidine-2,4-diamine

C14H25N5O — CID 135093000

IUPAC6-ethyl-4-N-[(3S,4R)-4-methoxypiperidin-3-yl]-2-N,2-N-dimethylpyrimidine-2,4-diamine
SMILESCCc1cc(N[C@H]2CNCC[C@H]2OC)nc(N(C)C)n1
InChIInChI=1S/C14H25N5O/c1-5-10-8-13(18-14(16-10)19(2)3)17-11-9-15-7-6-12(11)20-4/h8,11-12,15H,5-7,9H2,1-4H3,(H,16,17,18)/t11-,12+/m0/s1
InChIKeyPJNANGDTOCEKBE-NWDGAFQWSA-N
MW279.39 g/mol
LogP0.89
Rot. Bonds5

About 6-ethyl-4-N-[(3S,4R)-4-methoxypiperidin-3-yl]-2-N,2-N-dimethylpyrimidine-2,4-diamine

6-ethyl-4-N-[(3S,4R)-4-methoxypiperidin-3-yl]-2-N,2-N-dimethylpyrimidine-2,4-diamine (PubChem CID 135093000) has the molecular formula C14H25N5O and a molecular weight of 279.39 g/mol. Its IUPAC name is 6-ethyl-4-N-[(3S,4R)-4-methoxypiperidin-3-yl]-2-N,2-N-dimethylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name6-ethyl-4-N-[(3S,4R)-4-methoxypiperidin-3-yl]-2-N,2-N-dimethylpyrimidine-2,4-diamine
PubChem CID135093000
Molecular FormulaC14H25N5O
Molecular Weight279.39 g/mol
Exact Mass279.21
IUPAC Name6-ethyl-4-N-[(3S,4R)-4-methoxypiperidin-3-yl]-2-N,2-N-dimethylpyrimidine-2,4-diamine
SMILESCCc1cc(N[C@H]2CNCC[C@H]2OC)nc(N(C)C)n1
InChIInChI=1S/C14H25N5O/c1-5-10-8-13(18-14(16-10)19(2)3)17-11-9-15-7-6-12(11)20-4/h8,11-12,15H,5-7,9H2,1-4H3,(H,16,17,18)/t11-,12+/m0/s1
InChIKeyPJNANGDTOCEKBE-NWDGAFQWSA-N
XLogP0.89
TPSA62.31 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.39
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 6-ethyl-4-N-[(3S,4R)-4-methoxypiperidin-3-yl]-2-N,2-N-dimethylpyrimidine-2,4-diamine with MolForge

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Related Compounds

6-ethyl-N-[(4S)-4-methoxypyrrolidin-3-yl]pyrimidin-4-amine
CID 61240510
4-[2-(dimethylamino)-6-ethylpyrimidin-4-yl]-N-piperidin-4-yl-1H-pyrrolo[2,3-b]pyridin-6-amine
CID 70726243
6-ethyl-2-methyl-N-(pyrrolidin-3-ylmethyl)pyrimidin-4-amine
CID 80563627
6-ethoxy-N-[(4S)-4-methoxypyrrolidin-3-yl]-2-methylpyrimidin-4-amine
CID 66332908
N,N-dimethyl-4-[(3S)-pyrrolidin-3-yl]pyrimidin-2-amine
CID 92615182
4-cyclopropyl-6-ethyl-2-piperidin-4-ylpyrimidine
CID 55206429
6-ethyl-N-methyl-2-(4-methylcyclohexyl)pyrimidin-4-amine
CID 55045483
N-[(4S)-4-methoxypyrrolidin-3-yl]-2-methylpyrimidin-4-amine
CID 62770940
N,6-diethyl-2-(3-methylcyclopentyl)pyrimidin-4-amine
CID 65415234
6-ethyl-2-(4-methylphenyl)-N-piperidin-4-ylpyrimidin-4-amine
CID 56766967
4-N-[(R)-cyclopropyl-(1-methylimidazol-2-yl)methyl]-6-ethyl-2-N,2-N-dimethylpyrimidine-2,4-diamine
CID 95131117
(3R,4S)-4-methoxy-3-(2-methylbutan-2-yl)piperidine
CID 89213368

Frequently Asked Questions

What is the IUPAC name of 6-ethyl-4-N-[(3S,4R)-4-methoxypiperidin-3-yl]-2-N,2-N-dimethylpyrimidine-2,4-diamine?
The IUPAC name of 6-ethyl-4-N-[(3S,4R)-4-methoxypiperidin-3-yl]-2-N,2-N-dimethylpyrimidine-2,4-diamine (CID 135093000) is 6-ethyl-4-N-[(3S,4R)-4-methoxypiperidin-3-yl]-2-N,2-N-dimethylpyrimidine-2,4-diamine.
What is the SMILES notation for 6-ethyl-4-N-[(3S,4R)-4-methoxypiperidin-3-yl]-2-N,2-N-dimethylpyrimidine-2,4-diamine?
The canonical SMILES for 6-ethyl-4-N-[(3S,4R)-4-methoxypiperidin-3-yl]-2-N,2-N-dimethylpyrimidine-2,4-diamine is CCc1cc(N[C@H]2CNCC[C@H]2OC)nc(N(C)C)n1.
What is the InChIKey of 6-ethyl-4-N-[(3S,4R)-4-methoxypiperidin-3-yl]-2-N,2-N-dimethylpyrimidine-2,4-diamine?
The InChIKey is PJNANGDTOCEKBE-NWDGAFQWSA-N. The full InChI is InChI=1S/C14H25N5O/c1-5-10-8-13(18-14(16-10)19(2)3)17-11-9-15-7-6-12(11)20-4/h8,11-12,15H,5-7,9H2,1-4H3,(H,16,17,18)/t11-,12+/m0/s1.
What are the key properties of 6-ethyl-4-N-[(3S,4R)-4-methoxypiperidin-3-yl]-2-N,2-N-dimethylpyrimidine-2,4-diamine?
6-ethyl-4-N-[(3S,4R)-4-methoxypiperidin-3-yl]-2-N,2-N-dimethylpyrimidine-2,4-diamine has a molecular weight of 279.39 g/mol, XLogP of 0.89, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-4-N-[(3S,4R)-4-methoxypiperidin-3-yl]-2-N,2-N-dimethylpyrimidine-2,4-diamine is sourced from PubChem (CID 135093000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).