N-[(1R)-1-[2-[cyclohexyl(methyl)amino]-4-methylpyrimidin-5-yl]ethyl]-2-(tetrazol-1-yl)acetamide

C17H26N8O — CID 97121764

IUPACN-[(1R)-1-[2-[cyclohexyl(methyl)amino]-4-methylpyrimidin-5-yl]ethyl]-2-(tetrazol-1-yl)acetamide
SMILESCc1nc(N(C)C2CCCCC2)ncc1[C@@H](C)NC(=O)Cn1cnnn1
InChIInChI=1S/C17H26N8O/c1-12(20-16(26)10-25-11-19-22-23-25)15-9-18-17(21-13(15)2)24(3)14-7-5-4-6-8-14/h9,11-12,14H,4-8,10H2,1-3H3,(H,20,26)/t12-/m1/s1
InChIKeyNCWFMLNEABELPV-GFCCVEGCSA-N
MW358.45 g/mol
LogP1.42
Rot. Bonds6

About N-[(1R)-1-[2-[cyclohexyl(methyl)amino]-4-methylpyrimidin-5-yl]ethyl]-2-(tetrazol-1-yl)acetamide

N-[(1R)-1-[2-[cyclohexyl(methyl)amino]-4-methylpyrimidin-5-yl]ethyl]-2-(tetrazol-1-yl)acetamide (PubChem CID 97121764) has the molecular formula C17H26N8O and a molecular weight of 358.45 g/mol. Its IUPAC name is N-[(1R)-1-[2-[cyclohexyl(methyl)amino]-4-methylpyrimidin-5-yl]ethyl]-2-(tetrazol-1-yl)acetamide.

Molecular Properties

Compound NameN-[(1R)-1-[2-[cyclohexyl(methyl)amino]-4-methylpyrimidin-5-yl]ethyl]-2-(tetrazol-1-yl)acetamide
PubChem CID97121764
Molecular FormulaC17H26N8O
Molecular Weight358.45 g/mol
Exact Mass358.22
IUPAC NameN-[(1R)-1-[2-[cyclohexyl(methyl)amino]-4-methylpyrimidin-5-yl]ethyl]-2-(tetrazol-1-yl)acetamide
SMILESCc1nc(N(C)C2CCCCC2)ncc1[C@@H](C)NC(=O)Cn1cnnn1
InChIInChI=1S/C17H26N8O/c1-12(20-16(26)10-25-11-19-22-23-25)15-9-18-17(21-13(15)2)24(3)14-7-5-4-6-8-14/h9,11-12,14H,4-8,10H2,1-3H3,(H,20,26)/t12-/m1/s1
InChIKeyNCWFMLNEABELPV-GFCCVEGCSA-N
XLogP1.42
TPSA101.72 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.45
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-[2-[cyclohexyl(methyl)amino]-4-methylpyrimidin-5-yl]ethyl]-2-(tetrazol-1-yl)acetamide?
The IUPAC name of N-[(1R)-1-[2-[cyclohexyl(methyl)amino]-4-methylpyrimidin-5-yl]ethyl]-2-(tetrazol-1-yl)acetamide (CID 97121764) is N-[(1R)-1-[2-[cyclohexyl(methyl)amino]-4-methylpyrimidin-5-yl]ethyl]-2-(tetrazol-1-yl)acetamide.
What is the SMILES notation for N-[(1R)-1-[2-[cyclohexyl(methyl)amino]-4-methylpyrimidin-5-yl]ethyl]-2-(tetrazol-1-yl)acetamide?
The canonical SMILES for N-[(1R)-1-[2-[cyclohexyl(methyl)amino]-4-methylpyrimidin-5-yl]ethyl]-2-(tetrazol-1-yl)acetamide is Cc1nc(N(C)C2CCCCC2)ncc1[C@@H](C)NC(=O)Cn1cnnn1.
What is the InChIKey of N-[(1R)-1-[2-[cyclohexyl(methyl)amino]-4-methylpyrimidin-5-yl]ethyl]-2-(tetrazol-1-yl)acetamide?
The InChIKey is NCWFMLNEABELPV-GFCCVEGCSA-N. The full InChI is InChI=1S/C17H26N8O/c1-12(20-16(26)10-25-11-19-22-23-25)15-9-18-17(21-13(15)2)24(3)14-7-5-4-6-8-14/h9,11-12,14H,4-8,10H2,1-3H3,(H,20,26)/t12-/m1/s1.
What are the key properties of N-[(1R)-1-[2-[cyclohexyl(methyl)amino]-4-methylpyrimidin-5-yl]ethyl]-2-(tetrazol-1-yl)acetamide?
N-[(1R)-1-[2-[cyclohexyl(methyl)amino]-4-methylpyrimidin-5-yl]ethyl]-2-(tetrazol-1-yl)acetamide has a molecular weight of 358.45 g/mol, XLogP of 1.42, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-[2-[cyclohexyl(methyl)amino]-4-methylpyrimidin-5-yl]ethyl]-2-(tetrazol-1-yl)acetamide is sourced from PubChem (CID 97121764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).