[1-[4-(hydroxymethyl)pyrimidin-2-yl]-4-methylpiperidin-4-yl]carbamic acid

C12H18N4O3 — CID 155045808

IUPAC[1-[4-(hydroxymethyl)pyrimidin-2-yl]-4-methylpiperidin-4-yl]carbamic acid
SMILESCC1(NC(=O)O)CCN(c2nccc(CO)n2)CC1
InChIInChI=1S/C12H18N4O3/c1-12(15-11(18)19)3-6-16(7-4-12)10-13-5-2-9(8-17)14-10/h2,5,15,17H,3-4,6-8H2,1H3,(H,18,19)
InChIKeyIYYCQDWJKKFANV-UHFFFAOYSA-N
MW266.30 g/mol
LogP0.60
Rot. Bonds3

About [1-[4-(hydroxymethyl)pyrimidin-2-yl]-4-methylpiperidin-4-yl]carbamic acid

[1-[4-(hydroxymethyl)pyrimidin-2-yl]-4-methylpiperidin-4-yl]carbamic acid (PubChem CID 155045808) has the molecular formula C12H18N4O3 and a molecular weight of 266.30 g/mol. Its IUPAC name is [1-[4-(hydroxymethyl)pyrimidin-2-yl]-4-methylpiperidin-4-yl]carbamic acid.

Molecular Properties

Compound Name[1-[4-(hydroxymethyl)pyrimidin-2-yl]-4-methylpiperidin-4-yl]carbamic acid
PubChem CID155045808
Molecular FormulaC12H18N4O3
Molecular Weight266.30 g/mol
Exact Mass266.14
IUPAC Name[1-[4-(hydroxymethyl)pyrimidin-2-yl]-4-methylpiperidin-4-yl]carbamic acid
SMILESCC1(NC(=O)O)CCN(c2nccc(CO)n2)CC1
InChIInChI=1S/C12H18N4O3/c1-12(15-11(18)19)3-6-16(7-4-12)10-13-5-2-9(8-17)14-10/h2,5,15,17H,3-4,6-8H2,1H3,(H,18,19)
InChIKeyIYYCQDWJKKFANV-UHFFFAOYSA-N
XLogP0.60
TPSA98.58 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 50.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(azepan-1-yl)pyrimidin-4-yl]methanol
CID 62749376
[2-(7-methyl-2,7-diazaspiro[4.4]nonan-2-yl)pyrimidin-4-yl]methanol
CID 175849457
4-methyl-1-(4-methylpyrimidin-2-yl)piperidine-4-carboxylic acid
CID 63124110
[1-(5-amino-6-bromo-1,2,4-triazin-3-yl)-4-methylpiperidin-4-yl]carbamic acid
CID 118239519
4-hydroxy-1-[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]piperidine-4-carboxylic acid
CID 56872070
1-[4-(4-ethylpyrimidin-2-yl)piperazin-1-yl]ethanone
CID 138460359
1-(2-piperidin-1-ylpyrimidin-4-yl)propan-2-one
CID 83888888
[2-[4-(3-fluoro-2-pyridinyl)piperazin-1-yl]pyrimidin-4-yl]methanol
CID 136531931
methyl 2-[2-(4-methylpiperazin-1-yl)pyrimidin-4-yl]acetate
CID 142712818
4-methyl-N-[(2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]-1,3-thiazole-5-carboxamide
CID 122352085
1-(2,3-dimethylphenyl)-3-[(2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]urea
CID 91967166
tert-butyl N-[1-(2-chloropyrimidin-4-yl)-4-methylpiperidin-4-yl]carbamate
CID 19694924

Frequently Asked Questions

What is the IUPAC name of [1-[4-(hydroxymethyl)pyrimidin-2-yl]-4-methylpiperidin-4-yl]carbamic acid?
The IUPAC name of [1-[4-(hydroxymethyl)pyrimidin-2-yl]-4-methylpiperidin-4-yl]carbamic acid (CID 155045808) is [1-[4-(hydroxymethyl)pyrimidin-2-yl]-4-methylpiperidin-4-yl]carbamic acid.
What is the SMILES notation for [1-[4-(hydroxymethyl)pyrimidin-2-yl]-4-methylpiperidin-4-yl]carbamic acid?
The canonical SMILES for [1-[4-(hydroxymethyl)pyrimidin-2-yl]-4-methylpiperidin-4-yl]carbamic acid is CC1(NC(=O)O)CCN(c2nccc(CO)n2)CC1.
What is the InChIKey of [1-[4-(hydroxymethyl)pyrimidin-2-yl]-4-methylpiperidin-4-yl]carbamic acid?
The InChIKey is IYYCQDWJKKFANV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O3/c1-12(15-11(18)19)3-6-16(7-4-12)10-13-5-2-9(8-17)14-10/h2,5,15,17H,3-4,6-8H2,1H3,(H,18,19).
What are the key properties of [1-[4-(hydroxymethyl)pyrimidin-2-yl]-4-methylpiperidin-4-yl]carbamic acid?
[1-[4-(hydroxymethyl)pyrimidin-2-yl]-4-methylpiperidin-4-yl]carbamic acid has a molecular weight of 266.30 g/mol, XLogP of 0.60, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[4-(hydroxymethyl)pyrimidin-2-yl]-4-methylpiperidin-4-yl]carbamic acid is sourced from PubChem (CID 155045808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).