(3R)-1-[3-[(2-amino-6-ethyl-5-methylpyrimidin-4-yl)amino]propyl]piperidine-3-carboxamide

C16H28N6O — CID 97143743

IUPAC(3R)-1-[3-[(2-amino-6-ethyl-5-methylpyrimidin-4-yl)amino]propyl]piperidine-3-carboxamide
SMILESCCc1nc(N)nc(NCCCN2CCC[C@@H](C(N)=O)C2)c1C
InChIInChI=1S/C16H28N6O/c1-3-13-11(2)15(21-16(18)20-13)19-7-5-9-22-8-4-6-12(10-22)14(17)23/h12H,3-10H2,1-2H3,(H2,17,23)(H3,18,19,20,21)/t12-/m1/s1
InChIKeyTYXJTGFYAXQSHE-GFCCVEGCSA-N
MW320.44 g/mol
LogP0.93
Rot. Bonds7

About (3R)-1-[3-[(2-amino-6-ethyl-5-methylpyrimidin-4-yl)amino]propyl]piperidine-3-carboxamide

(3R)-1-[3-[(2-amino-6-ethyl-5-methylpyrimidin-4-yl)amino]propyl]piperidine-3-carboxamide (PubChem CID 97143743) has the molecular formula C16H28N6O and a molecular weight of 320.44 g/mol. Its IUPAC name is (3R)-1-[3-[(2-amino-6-ethyl-5-methylpyrimidin-4-yl)amino]propyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-[3-[(2-amino-6-ethyl-5-methylpyrimidin-4-yl)amino]propyl]piperidine-3-carboxamide
PubChem CID97143743
Molecular FormulaC16H28N6O
Molecular Weight320.44 g/mol
Exact Mass320.23
IUPAC Name(3R)-1-[3-[(2-amino-6-ethyl-5-methylpyrimidin-4-yl)amino]propyl]piperidine-3-carboxamide
SMILESCCc1nc(N)nc(NCCCN2CCC[C@@H](C(N)=O)C2)c1C
InChIInChI=1S/C16H28N6O/c1-3-13-11(2)15(21-16(18)20-13)19-7-5-9-22-8-4-6-12(10-22)14(17)23/h12H,3-10H2,1-2H3,(H2,17,23)(H3,18,19,20,21)/t12-/m1/s1
InChIKeyTYXJTGFYAXQSHE-GFCCVEGCSA-N
XLogP0.93
TPSA110.16 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.44
LogP ≤ 50.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[3-[(2-amino-6-ethyl-5-methylpyrimidin-4-yl)amino]propyl]piperidine-3-carboxamide
CID 72913557
1-[3-(methylamino)propyl]piperidine-3-carboxamide
CID 61386237
[1-[3-[(2-amino-5-ethyl-6-methylpyrimidin-4-yl)amino]propyl]piperidin-3-yl]methanol
CID 72912546
1-[3-[(5-chloro-3-fluoro-2-pyridinyl)amino]propyl]piperidine-3-carboxamide
CID 134697105
(3S)-1-dodecylpiperidine-3-carboxamide
CID 98141559
1-[3-[(1,3-dimethylpyrazolo[5,4-d][1,3]thiazol-5-yl)amino]propyl]piperidine-3-carboxamide
CID 72854350
(3S)-1-[3-[(1,3-dimethylpyrazolo[5,4-d][1,3]thiazol-5-yl)amino]propyl]piperidine-3-carboxamide
CID 97271140
(3R)-1-[3-[[(2S)-2-methylpentanoyl]amino]propyl]piperidine-3-carboxamide
CID 100840842
1-[3-[(2,4-dichloro-3-methylphenyl)sulfonylamino]propyl]piperidine-3-carboxamide
CID 131909787
(3R)-1-[3-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]propyl]piperidine-3-carboxamide
CID 94819135
1-(3-bromopropyl)piperidine-3-carboxamide
CID 61287309
(3R)-1-[3-[[(2R)-2-(2-methylpropoxy)propanoyl]amino]propyl]piperidine-3-carboxamide
CID 100856545

Frequently Asked Questions

What is the IUPAC name of (3R)-1-[3-[(2-amino-6-ethyl-5-methylpyrimidin-4-yl)amino]propyl]piperidine-3-carboxamide?
The IUPAC name of (3R)-1-[3-[(2-amino-6-ethyl-5-methylpyrimidin-4-yl)amino]propyl]piperidine-3-carboxamide (CID 97143743) is (3R)-1-[3-[(2-amino-6-ethyl-5-methylpyrimidin-4-yl)amino]propyl]piperidine-3-carboxamide.
What is the SMILES notation for (3R)-1-[3-[(2-amino-6-ethyl-5-methylpyrimidin-4-yl)amino]propyl]piperidine-3-carboxamide?
The canonical SMILES for (3R)-1-[3-[(2-amino-6-ethyl-5-methylpyrimidin-4-yl)amino]propyl]piperidine-3-carboxamide is CCc1nc(N)nc(NCCCN2CCC[C@@H](C(N)=O)C2)c1C.
What is the InChIKey of (3R)-1-[3-[(2-amino-6-ethyl-5-methylpyrimidin-4-yl)amino]propyl]piperidine-3-carboxamide?
The InChIKey is TYXJTGFYAXQSHE-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H28N6O/c1-3-13-11(2)15(21-16(18)20-13)19-7-5-9-22-8-4-6-12(10-22)14(17)23/h12H,3-10H2,1-2H3,(H2,17,23)(H3,18,19,20,21)/t12-/m1/s1.
What are the key properties of (3R)-1-[3-[(2-amino-6-ethyl-5-methylpyrimidin-4-yl)amino]propyl]piperidine-3-carboxamide?
(3R)-1-[3-[(2-amino-6-ethyl-5-methylpyrimidin-4-yl)amino]propyl]piperidine-3-carboxamide has a molecular weight of 320.44 g/mol, XLogP of 0.93, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[3-[(2-amino-6-ethyl-5-methylpyrimidin-4-yl)amino]propyl]piperidine-3-carboxamide is sourced from PubChem (CID 97143743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).