cis-(1R,3S)-3-[(6-methoxypyrimidin-4-yl)amino]cyclopentane-1-carboxylic acid

C11H15N3O3 — CID 106322063

IUPACcis-(1R,3S)-3-[(6-methoxypyrimidin-4-yl)amino]cyclopentane-1-carboxylic acid
SMILESCOc1cc(N[C@H]2CC[C@@H](C(=O)O)C2)ncn1
InChIInChI=1S/C11H15N3O3/c1-17-10-5-9(12-6-13-10)14-8-3-2-7(4-8)11(15)16/h5-8H,2-4H2,1H3,(H,15,16)(H,12,13,14)/t7-,8+/m1/s1
InChIKeyNMVBBFRAZIGAHD-SFYZADRCSA-N
MW237.26 g/mol
LogP1.15
Rot. Bonds4

About cis-(1R,3S)-3-[(6-methoxypyrimidin-4-yl)amino]cyclopentane-1-carboxylic acid

cis-(1R,3S)-3-[(6-methoxypyrimidin-4-yl)amino]cyclopentane-1-carboxylic acid (PubChem CID 106322063) has the molecular formula C11H15N3O3 and a molecular weight of 237.26 g/mol. Its IUPAC name is cis-(1R,3S)-3-[(6-methoxypyrimidin-4-yl)amino]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Namecis-(1R,3S)-3-[(6-methoxypyrimidin-4-yl)amino]cyclopentane-1-carboxylic acid
PubChem CID106322063
Molecular FormulaC11H15N3O3
Molecular Weight237.26 g/mol
Exact Mass237.11
IUPAC Namecis-(1R,3S)-3-[(6-methoxypyrimidin-4-yl)amino]cyclopentane-1-carboxylic acid
SMILESCOc1cc(N[C@H]2CC[C@@H](C(=O)O)C2)ncn1
InChIInChI=1S/C11H15N3O3/c1-17-10-5-9(12-6-13-10)14-8-3-2-7(4-8)11(15)16/h5-8H,2-4H2,1H3,(H,15,16)(H,12,13,14)/t7-,8+/m1/s1
InChIKeyNMVBBFRAZIGAHD-SFYZADRCSA-N
XLogP1.15
TPSA84.34 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3,5-dimethylcyclohexyl)-6-methoxypyrimidin-4-amine
CID 66326824
4-N-(6-methoxypyrimidin-4-yl)cyclohexane-1,4-diamine
CID 66318521
4-[(6-phenylmethoxypyrimidin-4-yl)amino]cyclohexane-1-carboxylic acid
CID 122059900
6-methoxy-N-piperidin-4-ylpyrimidin-4-amine
CID 66319414
N-(azetidin-3-yl)-6-methoxypyrimidin-4-amine
CID 66319421
cis-ethyl (1R,3S)-3-[(6-pyrrolidin-1-ylpyrimidin-4-yl)amino]cyclopentane-1-carboxylate
CID 154755479
methyl 4-[(6-pyrrolidin-1-ylpyrimidin-4-yl)amino]cyclohexane-1-carboxylate
CID 91827802
6-methoxy-N-(oxan-3-yl)pyrimidin-4-amine
CID 66327033
6-methoxy-N-(1-pyrimidin-2-ylpiperidin-4-yl)pyrimidin-4-amine
CID 126888036
6-methoxy-N-(3-tricyclo[3.2.1.02,4]octanyl)pyrimidin-4-amine
CID 114096512
3-[(5-methylpyrimidin-2-yl)amino]cyclopentane-1-carboxylic acid
CID 66030583
[4-[(6-methoxypyrimidin-4-yl)amino]piperidin-1-yl]-(5-methylpyrazin-2-yl)methanone
CID 126887972

Frequently Asked Questions

What is the IUPAC name of cis-(1R,3S)-3-[(6-methoxypyrimidin-4-yl)amino]cyclopentane-1-carboxylic acid?
The IUPAC name of cis-(1R,3S)-3-[(6-methoxypyrimidin-4-yl)amino]cyclopentane-1-carboxylic acid (CID 106322063) is cis-(1R,3S)-3-[(6-methoxypyrimidin-4-yl)amino]cyclopentane-1-carboxylic acid.
What is the SMILES notation for cis-(1R,3S)-3-[(6-methoxypyrimidin-4-yl)amino]cyclopentane-1-carboxylic acid?
The canonical SMILES for cis-(1R,3S)-3-[(6-methoxypyrimidin-4-yl)amino]cyclopentane-1-carboxylic acid is COc1cc(N[C@H]2CC[C@@H](C(=O)O)C2)ncn1.
What is the InChIKey of cis-(1R,3S)-3-[(6-methoxypyrimidin-4-yl)amino]cyclopentane-1-carboxylic acid?
The InChIKey is NMVBBFRAZIGAHD-SFYZADRCSA-N. The full InChI is InChI=1S/C11H15N3O3/c1-17-10-5-9(12-6-13-10)14-8-3-2-7(4-8)11(15)16/h5-8H,2-4H2,1H3,(H,15,16)(H,12,13,14)/t7-,8+/m1/s1.
What are the key properties of cis-(1R,3S)-3-[(6-methoxypyrimidin-4-yl)amino]cyclopentane-1-carboxylic acid?
cis-(1R,3S)-3-[(6-methoxypyrimidin-4-yl)amino]cyclopentane-1-carboxylic acid has a molecular weight of 237.26 g/mol, XLogP of 1.15, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,3S)-3-[(6-methoxypyrimidin-4-yl)amino]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 106322063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).