2-[[(1R,2R)-2-(hydroxymethyl)cyclopropyl]methylamino]-4-methylpyrimidine-5-carboxylic acid

C11H15N3O3 — CID 167892735

IUPAC2-[[(1R,2R)-2-(hydroxymethyl)cyclopropyl]methylamino]-4-methylpyrimidine-5-carboxylic acid
SMILESCc1nc(NC[C@@H]2C[C@H]2CO)ncc1C(=O)O
InChIInChI=1S/C11H15N3O3/c1-6-9(10(16)17)4-13-11(14-6)12-3-7-2-8(7)5-15/h4,7-8,15H,2-3,5H2,1H3,(H,16,17)(H,12,13,14)/t7-,8-/m0/s1
InChIKeyWJUMZQFXCCWWDL-YUMQZZPRSA-N
MW237.26 g/mol
LogP0.52
Rot. Bonds5

About 2-[[(1R,2R)-2-(hydroxymethyl)cyclopropyl]methylamino]-4-methylpyrimidine-5-carboxylic acid

2-[[(1R,2R)-2-(hydroxymethyl)cyclopropyl]methylamino]-4-methylpyrimidine-5-carboxylic acid (PubChem CID 167892735) has the molecular formula C11H15N3O3 and a molecular weight of 237.26 g/mol. Its IUPAC name is 2-[[(1R,2R)-2-(hydroxymethyl)cyclopropyl]methylamino]-4-methylpyrimidine-5-carboxylic acid.

Molecular Properties

Compound Name2-[[(1R,2R)-2-(hydroxymethyl)cyclopropyl]methylamino]-4-methylpyrimidine-5-carboxylic acid
PubChem CID167892735
Molecular FormulaC11H15N3O3
Molecular Weight237.26 g/mol
Exact Mass237.11
IUPAC Name2-[[(1R,2R)-2-(hydroxymethyl)cyclopropyl]methylamino]-4-methylpyrimidine-5-carboxylic acid
SMILESCc1nc(NC[C@@H]2C[C@H]2CO)ncc1C(=O)O
InChIInChI=1S/C11H15N3O3/c1-6-9(10(16)17)4-13-11(14-6)12-3-7-2-8(7)5-15/h4,7-8,15H,2-3,5H2,1H3,(H,16,17)(H,12,13,14)/t7-,8-/m0/s1
InChIKeyWJUMZQFXCCWWDL-YUMQZZPRSA-N
XLogP0.52
TPSA95.34 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 50.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-methyl-2-[(2-methylcyclopentyl)methylamino]pyrimidine-5-carboxylic acid
CID 107418984
2-(cyclopentylmethylamino)-4-methylpyrimidine-5-carboxylic acid
CID 83181809
2-[(3-hydroxycyclohexyl)methylamino]-4-methylpyrimidine-5-carboxylic acid
CID 114148420
2-[(1,4-dimethylpiperazin-2-yl)methylamino]-4-methylpyrimidine-5-carboxylic acid
CID 83182057
2-[2-[(3R,4S)-4-hydroxyoxolan-3-yl]ethylamino]-4-methylpyrimidine-5-carboxylic acid
CID 167757701
2-(methoxyamino)-4-methylpyrimidine-5-carboxylic acid
CID 90980975
2-[(3,3-dimethyloxan-4-yl)methylamino]-4-methylpyrimidine-5-carboxylic acid
CID 167803533
4-methyl-2-[(4-methyl-2-oxabicyclo[2.1.1]hexan-1-yl)methylamino]pyrimidine-5-carboxylic acid
CID 166258659
4-methyl-2-[2-(3-methylcyclohexyl)ethylamino]pyrimidine-5-carboxylic acid
CID 83181984
2-(2-cyclohexyloxyethylamino)-4-methylpyrimidine-5-carboxylic acid
CID 83181617
4-methyl-2-(1,3-thiazol-4-ylmethylamino)pyrimidine-5-carboxylic acid
CID 83181391
2-[(2-ethylphenyl)methylamino]-4-methylpyrimidine-5-carboxylic acid
CID 83181251

Frequently Asked Questions

What is the IUPAC name of 2-[[(1R,2R)-2-(hydroxymethyl)cyclopropyl]methylamino]-4-methylpyrimidine-5-carboxylic acid?
The IUPAC name of 2-[[(1R,2R)-2-(hydroxymethyl)cyclopropyl]methylamino]-4-methylpyrimidine-5-carboxylic acid (CID 167892735) is 2-[[(1R,2R)-2-(hydroxymethyl)cyclopropyl]methylamino]-4-methylpyrimidine-5-carboxylic acid.
What is the SMILES notation for 2-[[(1R,2R)-2-(hydroxymethyl)cyclopropyl]methylamino]-4-methylpyrimidine-5-carboxylic acid?
The canonical SMILES for 2-[[(1R,2R)-2-(hydroxymethyl)cyclopropyl]methylamino]-4-methylpyrimidine-5-carboxylic acid is Cc1nc(NC[C@@H]2C[C@H]2CO)ncc1C(=O)O.
What is the InChIKey of 2-[[(1R,2R)-2-(hydroxymethyl)cyclopropyl]methylamino]-4-methylpyrimidine-5-carboxylic acid?
The InChIKey is WJUMZQFXCCWWDL-YUMQZZPRSA-N. The full InChI is InChI=1S/C11H15N3O3/c1-6-9(10(16)17)4-13-11(14-6)12-3-7-2-8(7)5-15/h4,7-8,15H,2-3,5H2,1H3,(H,16,17)(H,12,13,14)/t7-,8-/m0/s1.
What are the key properties of 2-[[(1R,2R)-2-(hydroxymethyl)cyclopropyl]methylamino]-4-methylpyrimidine-5-carboxylic acid?
2-[[(1R,2R)-2-(hydroxymethyl)cyclopropyl]methylamino]-4-methylpyrimidine-5-carboxylic acid has a molecular weight of 237.26 g/mol, XLogP of 0.52, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(1R,2R)-2-(hydroxymethyl)cyclopropyl]methylamino]-4-methylpyrimidine-5-carboxylic acid is sourced from PubChem (CID 167892735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).