2-[(3-hydroxycyclobutyl)amino]-6-methylpyrimidine-4-carboxylic acid

C10H13N3O3 — CID 107554123

IUPAC2-[(3-hydroxycyclobutyl)amino]-6-methylpyrimidine-4-carboxylic acid
SMILESCc1cc(C(=O)O)nc(NC2CC(O)C2)n1
InChIInChI=1S/C10H13N3O3/c1-5-2-8(9(15)16)13-10(11-5)12-6-3-7(14)4-6/h2,6-7,14H,3-4H2,1H3,(H,15,16)(H,11,12,13)
InChIKeyTVFJELOHXVUEIX-UHFFFAOYSA-N
MW223.23 g/mol
LogP0.42
Rot. Bonds3

About 2-[(3-hydroxycyclobutyl)amino]-6-methylpyrimidine-4-carboxylic acid

2-[(3-hydroxycyclobutyl)amino]-6-methylpyrimidine-4-carboxylic acid (PubChem CID 107554123) has the molecular formula C10H13N3O3 and a molecular weight of 223.23 g/mol. Its IUPAC name is 2-[(3-hydroxycyclobutyl)amino]-6-methylpyrimidine-4-carboxylic acid.

Molecular Properties

Compound Name2-[(3-hydroxycyclobutyl)amino]-6-methylpyrimidine-4-carboxylic acid
PubChem CID107554123
Molecular FormulaC10H13N3O3
Molecular Weight223.23 g/mol
Exact Mass223.10
IUPAC Name2-[(3-hydroxycyclobutyl)amino]-6-methylpyrimidine-4-carboxylic acid
SMILESCc1cc(C(=O)O)nc(NC2CC(O)C2)n1
InChIInChI=1S/C10H13N3O3/c1-5-2-8(9(15)16)13-10(11-5)12-6-3-7(14)4-6/h2,6-7,14H,3-4H2,1H3,(H,15,16)(H,11,12,13)
InChIKeyTVFJELOHXVUEIX-UHFFFAOYSA-N
XLogP0.42
TPSA95.34 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.23
LogP ≤ 50.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

6-methyl-2-[(2-methylcyclopropyl)amino]pyrimidine-4-carboxylic acid
CID 107553377
2-(cyclopropanecarbonylamino)-6-methylpyrimidine-4-carboxylic acid
CID 67508732
3-[[6-methyl-2-(methylamino)pyrimidin-4-yl]amino]cyclobutan-1-ol
CID 80856009
6-methyl-2-(3-methylbut-2-enylamino)pyrimidine-4-carboxylic acid
CID 106197907
N-cyclopentyl-2-(cyclopropylamino)-6-methylpyrimidine-4-carboxamide
CID 109319648
6-methyl-2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)pyrimidine-4-carboxylic acid
CID 107553354
2-(cyclopropylamino)-N-(2,6-dimethylphenyl)-6-methylpyrimidine-4-carboxamide
CID 109319743
2-(2,2-dicyclopropylethylamino)-6-methylpyrimidine-4-carboxylic acid
CID 107554108
[2-(cyclopropylamino)-6-methylpyrimidin-4-yl]-(4-phenylpiperazin-1-yl)methanone
CID 109319693
2-(3-hydroxyazetidin-1-yl)-6-methylpyrimidine-4-carboxylic acid
CID 131107872
2-(cyclopropylamino)-6-methylpyrimidine-4-carbothioamide
CID 107546159
N-benzyl-2-(cyclopropylamino)-6-methylpyrimidine-4-carboxamide
CID 109319665

Frequently Asked Questions

What is the IUPAC name of 2-[(3-hydroxycyclobutyl)amino]-6-methylpyrimidine-4-carboxylic acid?
The IUPAC name of 2-[(3-hydroxycyclobutyl)amino]-6-methylpyrimidine-4-carboxylic acid (CID 107554123) is 2-[(3-hydroxycyclobutyl)amino]-6-methylpyrimidine-4-carboxylic acid.
What is the SMILES notation for 2-[(3-hydroxycyclobutyl)amino]-6-methylpyrimidine-4-carboxylic acid?
The canonical SMILES for 2-[(3-hydroxycyclobutyl)amino]-6-methylpyrimidine-4-carboxylic acid is Cc1cc(C(=O)O)nc(NC2CC(O)C2)n1.
What is the InChIKey of 2-[(3-hydroxycyclobutyl)amino]-6-methylpyrimidine-4-carboxylic acid?
The InChIKey is TVFJELOHXVUEIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O3/c1-5-2-8(9(15)16)13-10(11-5)12-6-3-7(14)4-6/h2,6-7,14H,3-4H2,1H3,(H,15,16)(H,11,12,13).
What are the key properties of 2-[(3-hydroxycyclobutyl)amino]-6-methylpyrimidine-4-carboxylic acid?
2-[(3-hydroxycyclobutyl)amino]-6-methylpyrimidine-4-carboxylic acid has a molecular weight of 223.23 g/mol, XLogP of 0.42, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-hydroxycyclobutyl)amino]-6-methylpyrimidine-4-carboxylic acid is sourced from PubChem (CID 107554123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).