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

C21H32N6 — CID 26391654

IUPACN-cyclohexyl-5-[(1S)-1-[(2-ethylpyrimidin-5-yl)methylamino]ethyl]-N,4-dimethylpyrimidin-2-amine
SMILESCCc1ncc(CN[C@@H](C)c2cnc(N(C)C3CCCCC3)nc2C)cn1
InChIInChI=1S/C21H32N6/c1-5-20-23-12-17(13-24-20)11-22-15(2)19-14-25-21(26-16(19)3)27(4)18-9-7-6-8-10-18/h12-15,18,22H,5-11H2,1-4H3/t15-/m0/s1
InChIKeyDRVZOBLQMIAMEN-HNNXBMFYSA-N
MW368.53 g/mol
LogP3.76
Rot. Bonds7

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

N-cyclohexyl-5-[(1S)-1-[(2-ethylpyrimidin-5-yl)methylamino]ethyl]-N,4-dimethylpyrimidin-2-amine (PubChem CID 26391654) has the molecular formula C21H32N6 and a molecular weight of 368.53 g/mol. Its IUPAC name is N-cyclohexyl-5-[(1S)-1-[(2-ethylpyrimidin-5-yl)methylamino]ethyl]-N,4-dimethylpyrimidin-2-amine.

Molecular Properties

Compound NameN-cyclohexyl-5-[(1S)-1-[(2-ethylpyrimidin-5-yl)methylamino]ethyl]-N,4-dimethylpyrimidin-2-amine
PubChem CID26391654
Molecular FormulaC21H32N6
Molecular Weight368.53 g/mol
Exact Mass368.27
IUPAC NameN-cyclohexyl-5-[(1S)-1-[(2-ethylpyrimidin-5-yl)methylamino]ethyl]-N,4-dimethylpyrimidin-2-amine
SMILESCCc1ncc(CN[C@@H](C)c2cnc(N(C)C3CCCCC3)nc2C)cn1
InChIInChI=1S/C21H32N6/c1-5-20-23-12-17(13-24-20)11-22-15(2)19-14-25-21(26-16(19)3)27(4)18-9-7-6-8-10-18/h12-15,18,22H,5-11H2,1-4H3/t15-/m0/s1
InChIKeyDRVZOBLQMIAMEN-HNNXBMFYSA-N
XLogP3.76
TPSA66.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.53
LogP ≤ 53.76
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-[(2-ethylpyrimidin-5-yl)methylamino]ethyl]-N,4-dimethylpyrimidin-2-amine?
The IUPAC name of N-cyclohexyl-5-[(1S)-1-[(2-ethylpyrimidin-5-yl)methylamino]ethyl]-N,4-dimethylpyrimidin-2-amine (CID 26391654) is N-cyclohexyl-5-[(1S)-1-[(2-ethylpyrimidin-5-yl)methylamino]ethyl]-N,4-dimethylpyrimidin-2-amine.
What is the SMILES notation for N-cyclohexyl-5-[(1S)-1-[(2-ethylpyrimidin-5-yl)methylamino]ethyl]-N,4-dimethylpyrimidin-2-amine?
The canonical SMILES for N-cyclohexyl-5-[(1S)-1-[(2-ethylpyrimidin-5-yl)methylamino]ethyl]-N,4-dimethylpyrimidin-2-amine is CCc1ncc(CN[C@@H](C)c2cnc(N(C)C3CCCCC3)nc2C)cn1.
What is the InChIKey of N-cyclohexyl-5-[(1S)-1-[(2-ethylpyrimidin-5-yl)methylamino]ethyl]-N,4-dimethylpyrimidin-2-amine?
The InChIKey is DRVZOBLQMIAMEN-HNNXBMFYSA-N. The full InChI is InChI=1S/C21H32N6/c1-5-20-23-12-17(13-24-20)11-22-15(2)19-14-25-21(26-16(19)3)27(4)18-9-7-6-8-10-18/h12-15,18,22H,5-11H2,1-4H3/t15-/m0/s1.
What are the key properties of N-cyclohexyl-5-[(1S)-1-[(2-ethylpyrimidin-5-yl)methylamino]ethyl]-N,4-dimethylpyrimidin-2-amine?
N-cyclohexyl-5-[(1S)-1-[(2-ethylpyrimidin-5-yl)methylamino]ethyl]-N,4-dimethylpyrimidin-2-amine has a molecular weight of 368.53 g/mol, XLogP of 3.76, 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-[(2-ethylpyrimidin-5-yl)methylamino]ethyl]-N,4-dimethylpyrimidin-2-amine is sourced from PubChem (CID 26391654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).