[(3S)-3-[1-(cyclopropylmethyl)imidazol-2-yl]piperidin-1-yl]-[2-(ethylamino)pyrimidin-5-yl]methanone

C19H26N6O — CID 97276010

IUPAC[(3S)-3-[1-(cyclopropylmethyl)imidazol-2-yl]piperidin-1-yl]-[2-(ethylamino)pyrimidin-5-yl]methanone
SMILESCCNc1ncc(C(=O)N2CCC[C@H](c3nccn3CC3CC3)C2)cn1
InChIInChI=1S/C19H26N6O/c1-2-20-19-22-10-16(11-23-19)18(26)25-8-3-4-15(13-25)17-21-7-9-24(17)12-14-5-6-14/h7,9-11,14-15H,2-6,8,12-13H2,1H3,(H,20,22,23)/t15-/m0/s1
InChIKeyHRHUIAHOXXUDTA-HNNXBMFYSA-N
MW354.46 g/mol
LogP2.53
Rot. Bonds6

About [(3S)-3-[1-(cyclopropylmethyl)imidazol-2-yl]piperidin-1-yl]-[2-(ethylamino)pyrimidin-5-yl]methanone

[(3S)-3-[1-(cyclopropylmethyl)imidazol-2-yl]piperidin-1-yl]-[2-(ethylamino)pyrimidin-5-yl]methanone (PubChem CID 97276010) has the molecular formula C19H26N6O and a molecular weight of 354.46 g/mol. Its IUPAC name is [(3S)-3-[1-(cyclopropylmethyl)imidazol-2-yl]piperidin-1-yl]-[2-(ethylamino)pyrimidin-5-yl]methanone.

Molecular Properties

Compound Name[(3S)-3-[1-(cyclopropylmethyl)imidazol-2-yl]piperidin-1-yl]-[2-(ethylamino)pyrimidin-5-yl]methanone
PubChem CID97276010
Molecular FormulaC19H26N6O
Molecular Weight354.46 g/mol
Exact Mass354.22
IUPAC Name[(3S)-3-[1-(cyclopropylmethyl)imidazol-2-yl]piperidin-1-yl]-[2-(ethylamino)pyrimidin-5-yl]methanone
SMILESCCNc1ncc(C(=O)N2CCC[C@H](c3nccn3CC3CC3)C2)cn1
InChIInChI=1S/C19H26N6O/c1-2-20-19-22-10-16(11-23-19)18(26)25-8-3-4-15(13-25)17-21-7-9-24(17)12-14-5-6-14/h7,9-11,14-15H,2-6,8,12-13H2,1H3,(H,20,22,23)/t15-/m0/s1
InChIKeyHRHUIAHOXXUDTA-HNNXBMFYSA-N
XLogP2.53
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.46
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [(3S)-3-[1-(cyclopropylmethyl)imidazol-2-yl]piperidin-1-yl]-[2-(ethylamino)pyrimidin-5-yl]methanone?
The IUPAC name of [(3S)-3-[1-(cyclopropylmethyl)imidazol-2-yl]piperidin-1-yl]-[2-(ethylamino)pyrimidin-5-yl]methanone (CID 97276010) is [(3S)-3-[1-(cyclopropylmethyl)imidazol-2-yl]piperidin-1-yl]-[2-(ethylamino)pyrimidin-5-yl]methanone.
What is the SMILES notation for [(3S)-3-[1-(cyclopropylmethyl)imidazol-2-yl]piperidin-1-yl]-[2-(ethylamino)pyrimidin-5-yl]methanone?
The canonical SMILES for [(3S)-3-[1-(cyclopropylmethyl)imidazol-2-yl]piperidin-1-yl]-[2-(ethylamino)pyrimidin-5-yl]methanone is CCNc1ncc(C(=O)N2CCC[C@H](c3nccn3CC3CC3)C2)cn1.
What is the InChIKey of [(3S)-3-[1-(cyclopropylmethyl)imidazol-2-yl]piperidin-1-yl]-[2-(ethylamino)pyrimidin-5-yl]methanone?
The InChIKey is HRHUIAHOXXUDTA-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H26N6O/c1-2-20-19-22-10-16(11-23-19)18(26)25-8-3-4-15(13-25)17-21-7-9-24(17)12-14-5-6-14/h7,9-11,14-15H,2-6,8,12-13H2,1H3,(H,20,22,23)/t15-/m0/s1.
What are the key properties of [(3S)-3-[1-(cyclopropylmethyl)imidazol-2-yl]piperidin-1-yl]-[2-(ethylamino)pyrimidin-5-yl]methanone?
[(3S)-3-[1-(cyclopropylmethyl)imidazol-2-yl]piperidin-1-yl]-[2-(ethylamino)pyrimidin-5-yl]methanone has a molecular weight of 354.46 g/mol, XLogP of 2.53, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-3-[1-(cyclopropylmethyl)imidazol-2-yl]piperidin-1-yl]-[2-(ethylamino)pyrimidin-5-yl]methanone is sourced from PubChem (CID 97276010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).