N-[(1S)-1-[2-[cyclohexyl(methyl)amino]-4-methylpyrimidin-5-yl]ethyl]-1-(hydroxymethyl)cyclopropane-1-carboxamide

C19H30N4O2 — CID 97152140

IUPACN-[(1S)-1-[2-[cyclohexyl(methyl)amino]-4-methylpyrimidin-5-yl]ethyl]-1-(hydroxymethyl)cyclopropane-1-carboxamide
SMILESCc1nc(N(C)C2CCCCC2)ncc1[C@H](C)NC(=O)C1(CO)CC1
InChIInChI=1S/C19H30N4O2/c1-13(21-17(25)19(12-24)9-10-19)16-11-20-18(22-14(16)2)23(3)15-7-5-4-6-8-15/h11,13,15,24H,4-10,12H2,1-3H3,(H,21,25)/t13-/m0/s1
InChIKeyLLBSPAPOHLSRCZ-ZDUSSCGKSA-N
MW346.48 g/mol
LogP2.50
Rot. Bonds6

About N-[(1S)-1-[2-[cyclohexyl(methyl)amino]-4-methylpyrimidin-5-yl]ethyl]-1-(hydroxymethyl)cyclopropane-1-carboxamide

N-[(1S)-1-[2-[cyclohexyl(methyl)amino]-4-methylpyrimidin-5-yl]ethyl]-1-(hydroxymethyl)cyclopropane-1-carboxamide (PubChem CID 97152140) has the molecular formula C19H30N4O2 and a molecular weight of 346.48 g/mol. Its IUPAC name is N-[(1S)-1-[2-[cyclohexyl(methyl)amino]-4-methylpyrimidin-5-yl]ethyl]-1-(hydroxymethyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-[(1S)-1-[2-[cyclohexyl(methyl)amino]-4-methylpyrimidin-5-yl]ethyl]-1-(hydroxymethyl)cyclopropane-1-carboxamide
PubChem CID97152140
Molecular FormulaC19H30N4O2
Molecular Weight346.48 g/mol
Exact Mass346.24
IUPAC NameN-[(1S)-1-[2-[cyclohexyl(methyl)amino]-4-methylpyrimidin-5-yl]ethyl]-1-(hydroxymethyl)cyclopropane-1-carboxamide
SMILESCc1nc(N(C)C2CCCCC2)ncc1[C@H](C)NC(=O)C1(CO)CC1
InChIInChI=1S/C19H30N4O2/c1-13(21-17(25)19(12-24)9-10-19)16-11-20-18(22-14(16)2)23(3)15-7-5-4-6-8-15/h11,13,15,24H,4-10,12H2,1-3H3,(H,21,25)/t13-/m0/s1
InChIKeyLLBSPAPOHLSRCZ-ZDUSSCGKSA-N
XLogP2.50
TPSA78.35 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.48
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-[2-[cyclohexyl(methyl)amino]-4-methylpyrimidin-5-yl]ethyl]-1-(hydroxymethyl)cyclopropane-1-carboxamide?
The IUPAC name of N-[(1S)-1-[2-[cyclohexyl(methyl)amino]-4-methylpyrimidin-5-yl]ethyl]-1-(hydroxymethyl)cyclopropane-1-carboxamide (CID 97152140) is N-[(1S)-1-[2-[cyclohexyl(methyl)amino]-4-methylpyrimidin-5-yl]ethyl]-1-(hydroxymethyl)cyclopropane-1-carboxamide.
What is the SMILES notation for N-[(1S)-1-[2-[cyclohexyl(methyl)amino]-4-methylpyrimidin-5-yl]ethyl]-1-(hydroxymethyl)cyclopropane-1-carboxamide?
The canonical SMILES for N-[(1S)-1-[2-[cyclohexyl(methyl)amino]-4-methylpyrimidin-5-yl]ethyl]-1-(hydroxymethyl)cyclopropane-1-carboxamide is Cc1nc(N(C)C2CCCCC2)ncc1[C@H](C)NC(=O)C1(CO)CC1.
What is the InChIKey of N-[(1S)-1-[2-[cyclohexyl(methyl)amino]-4-methylpyrimidin-5-yl]ethyl]-1-(hydroxymethyl)cyclopropane-1-carboxamide?
The InChIKey is LLBSPAPOHLSRCZ-ZDUSSCGKSA-N. The full InChI is InChI=1S/C19H30N4O2/c1-13(21-17(25)19(12-24)9-10-19)16-11-20-18(22-14(16)2)23(3)15-7-5-4-6-8-15/h11,13,15,24H,4-10,12H2,1-3H3,(H,21,25)/t13-/m0/s1.
What are the key properties of N-[(1S)-1-[2-[cyclohexyl(methyl)amino]-4-methylpyrimidin-5-yl]ethyl]-1-(hydroxymethyl)cyclopropane-1-carboxamide?
N-[(1S)-1-[2-[cyclohexyl(methyl)amino]-4-methylpyrimidin-5-yl]ethyl]-1-(hydroxymethyl)cyclopropane-1-carboxamide has a molecular weight of 346.48 g/mol, XLogP of 2.50, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-[2-[cyclohexyl(methyl)amino]-4-methylpyrimidin-5-yl]ethyl]-1-(hydroxymethyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 97152140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).