2-[[(4-propan-2-yloxypyrimidin-2-yl)amino]methyl]cyclopentane-1-carboxylic acid

C14H21N3O3 — CID 115974164

IUPAC2-[[(4-propan-2-yloxypyrimidin-2-yl)amino]methyl]cyclopentane-1-carboxylic acid
SMILESCC(C)Oc1ccnc(NCC2CCCC2C(=O)O)n1
InChIInChI=1S/C14H21N3O3/c1-9(2)20-12-6-7-15-14(17-12)16-8-10-4-3-5-11(10)13(18)19/h6-7,9-11H,3-5,8H2,1-2H3,(H,18,19)(H,15,16,17)
InChIKeyYZSGUTRIFQYDBN-UHFFFAOYSA-N
MW279.34 g/mol
LogP2.18
Rot. Bonds6

About 2-[[(4-propan-2-yloxypyrimidin-2-yl)amino]methyl]cyclopentane-1-carboxylic acid

2-[[(4-propan-2-yloxypyrimidin-2-yl)amino]methyl]cyclopentane-1-carboxylic acid (PubChem CID 115974164) has the molecular formula C14H21N3O3 and a molecular weight of 279.34 g/mol. Its IUPAC name is 2-[[(4-propan-2-yloxypyrimidin-2-yl)amino]methyl]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name2-[[(4-propan-2-yloxypyrimidin-2-yl)amino]methyl]cyclopentane-1-carboxylic acid
PubChem CID115974164
Molecular FormulaC14H21N3O3
Molecular Weight279.34 g/mol
Exact Mass279.16
IUPAC Name2-[[(4-propan-2-yloxypyrimidin-2-yl)amino]methyl]cyclopentane-1-carboxylic acid
SMILESCC(C)Oc1ccnc(NCC2CCCC2C(=O)O)n1
InChIInChI=1S/C14H21N3O3/c1-9(2)20-12-6-7-15-14(17-12)16-8-10-4-3-5-11(10)13(18)19/h6-7,9-11H,3-5,8H2,1-2H3,(H,18,19)(H,15,16,17)
InChIKeyYZSGUTRIFQYDBN-UHFFFAOYSA-N
XLogP2.18
TPSA84.34 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[2-(aminomethyl)cyclohexyl]methyl]-4-propan-2-yloxypyrimidin-2-amine
CID 115975730
N-[[2-(chloromethyl)cyclohexyl]methyl]-4-propan-2-yloxypyrimidin-2-amine
CID 115975697
2-methyl-3-[(4-propan-2-yloxypyrimidin-2-yl)amino]propanoic acid
CID 112636067
N-(2,2-dicyclopropylethyl)-4-propan-2-yloxypyrimidin-2-amine
CID 112638038
2-[[(4,6-dimethoxypyrimidin-2-yl)amino]methyl]cyclohexane-1-carboxylic acid
CID 115354770
N-[(3-chlorocyclobutyl)methyl]-4-propan-2-yloxypyrimidin-2-amine
CID 112639325
N-[(1-methylpyrrolidin-2-yl)methyl]-4-propan-2-yloxypyrimidin-2-amine
CID 114138482
N-(2-chloro-2-cyclopropylethyl)-4-propan-2-yloxypyrimidin-2-amine
CID 112639309
N-[(3-aminocyclopentyl)methyl]-4-propan-2-yloxypyrimidin-2-amine
CID 106126729
3-[[(4-propan-2-yloxypyrimidin-2-yl)amino]methyl]pentanoic acid
CID 112636210
6-[(4-propan-2-yloxypyrimidin-2-yl)amino]hexanoic acid
CID 112635945
N-[2-(4-methylcyclohexyl)ethyl]-4-propan-2-yloxypyrimidin-2-amine
CID 115975097

Frequently Asked Questions

What is the IUPAC name of 2-[[(4-propan-2-yloxypyrimidin-2-yl)amino]methyl]cyclopentane-1-carboxylic acid?
The IUPAC name of 2-[[(4-propan-2-yloxypyrimidin-2-yl)amino]methyl]cyclopentane-1-carboxylic acid (CID 115974164) is 2-[[(4-propan-2-yloxypyrimidin-2-yl)amino]methyl]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 2-[[(4-propan-2-yloxypyrimidin-2-yl)amino]methyl]cyclopentane-1-carboxylic acid?
The canonical SMILES for 2-[[(4-propan-2-yloxypyrimidin-2-yl)amino]methyl]cyclopentane-1-carboxylic acid is CC(C)Oc1ccnc(NCC2CCCC2C(=O)O)n1.
What is the InChIKey of 2-[[(4-propan-2-yloxypyrimidin-2-yl)amino]methyl]cyclopentane-1-carboxylic acid?
The InChIKey is YZSGUTRIFQYDBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O3/c1-9(2)20-12-6-7-15-14(17-12)16-8-10-4-3-5-11(10)13(18)19/h6-7,9-11H,3-5,8H2,1-2H3,(H,18,19)(H,15,16,17).
What are the key properties of 2-[[(4-propan-2-yloxypyrimidin-2-yl)amino]methyl]cyclopentane-1-carboxylic acid?
2-[[(4-propan-2-yloxypyrimidin-2-yl)amino]methyl]cyclopentane-1-carboxylic acid has a molecular weight of 279.34 g/mol, XLogP of 2.18, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(4-propan-2-yloxypyrimidin-2-yl)amino]methyl]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 115974164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).