N-cyclohexyl-5-[(1S)-1-[(1-ethylpyrazol-4-yl)methylamino]ethyl]-N,4-dimethylpyrimidin-2-amine

C20H32N6 — CID 42566306

IUPACN-cyclohexyl-5-[(1S)-1-[(1-ethylpyrazol-4-yl)methylamino]ethyl]-N,4-dimethylpyrimidin-2-amine
SMILESCCn1cc(CN[C@@H](C)c2cnc(N(C)C3CCCCC3)nc2C)cn1
InChIInChI=1S/C20H32N6/c1-5-26-14-17(12-23-26)11-21-15(2)19-13-22-20(24-16(19)3)25(4)18-9-7-6-8-10-18/h12-15,18,21H,5-11H2,1-4H3/t15-/m0/s1
InChIKeyKLRXPPRZKVTEIZ-HNNXBMFYSA-N
MW356.52 g/mol
LogP3.62
Rot. Bonds7

About N-cyclohexyl-5-[(1S)-1-[(1-ethylpyrazol-4-yl)methylamino]ethyl]-N,4-dimethylpyrimidin-2-amine

N-cyclohexyl-5-[(1S)-1-[(1-ethylpyrazol-4-yl)methylamino]ethyl]-N,4-dimethylpyrimidin-2-amine (PubChem CID 42566306) has the molecular formula C20H32N6 and a molecular weight of 356.52 g/mol. Its IUPAC name is N-cyclohexyl-5-[(1S)-1-[(1-ethylpyrazol-4-yl)methylamino]ethyl]-N,4-dimethylpyrimidin-2-amine.

Molecular Properties

Compound NameN-cyclohexyl-5-[(1S)-1-[(1-ethylpyrazol-4-yl)methylamino]ethyl]-N,4-dimethylpyrimidin-2-amine
PubChem CID42566306
Molecular FormulaC20H32N6
Molecular Weight356.52 g/mol
Exact Mass356.27
IUPAC NameN-cyclohexyl-5-[(1S)-1-[(1-ethylpyrazol-4-yl)methylamino]ethyl]-N,4-dimethylpyrimidin-2-amine
SMILESCCn1cc(CN[C@@H](C)c2cnc(N(C)C3CCCCC3)nc2C)cn1
InChIInChI=1S/C20H32N6/c1-5-26-14-17(12-23-26)11-21-15(2)19-13-22-20(24-16(19)3)25(4)18-9-7-6-8-10-18/h12-15,18,21H,5-11H2,1-4H3/t15-/m0/s1
InChIKeyKLRXPPRZKVTEIZ-HNNXBMFYSA-N
XLogP3.62
TPSA58.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.52
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-5-[(1S)-1-[(1-ethylpyrazol-4-yl)methylamino]ethyl]-N,4-dimethylpyrimidin-2-amine?
The IUPAC name of N-cyclohexyl-5-[(1S)-1-[(1-ethylpyrazol-4-yl)methylamino]ethyl]-N,4-dimethylpyrimidin-2-amine (CID 42566306) is N-cyclohexyl-5-[(1S)-1-[(1-ethylpyrazol-4-yl)methylamino]ethyl]-N,4-dimethylpyrimidin-2-amine.
What is the SMILES notation for N-cyclohexyl-5-[(1S)-1-[(1-ethylpyrazol-4-yl)methylamino]ethyl]-N,4-dimethylpyrimidin-2-amine?
The canonical SMILES for N-cyclohexyl-5-[(1S)-1-[(1-ethylpyrazol-4-yl)methylamino]ethyl]-N,4-dimethylpyrimidin-2-amine is CCn1cc(CN[C@@H](C)c2cnc(N(C)C3CCCCC3)nc2C)cn1.
What is the InChIKey of N-cyclohexyl-5-[(1S)-1-[(1-ethylpyrazol-4-yl)methylamino]ethyl]-N,4-dimethylpyrimidin-2-amine?
The InChIKey is KLRXPPRZKVTEIZ-HNNXBMFYSA-N. The full InChI is InChI=1S/C20H32N6/c1-5-26-14-17(12-23-26)11-21-15(2)19-13-22-20(24-16(19)3)25(4)18-9-7-6-8-10-18/h12-15,18,21H,5-11H2,1-4H3/t15-/m0/s1.
What are the key properties of N-cyclohexyl-5-[(1S)-1-[(1-ethylpyrazol-4-yl)methylamino]ethyl]-N,4-dimethylpyrimidin-2-amine?
N-cyclohexyl-5-[(1S)-1-[(1-ethylpyrazol-4-yl)methylamino]ethyl]-N,4-dimethylpyrimidin-2-amine has a molecular weight of 356.52 g/mol, XLogP of 3.62, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-5-[(1S)-1-[(1-ethylpyrazol-4-yl)methylamino]ethyl]-N,4-dimethylpyrimidin-2-amine is sourced from PubChem (CID 42566306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).