4-[[[1-(2-methylpropyl)cyclopentyl]methylamino]methyl]pyrimidine-5-carboxylic acid

C16H25N3O2 — CID 103259792

IUPAC4-[[[1-(2-methylpropyl)cyclopentyl]methylamino]methyl]pyrimidine-5-carboxylic acid
SMILESCC(C)CC1(CNCc2ncncc2C(=O)O)CCCC1
InChIInChI=1S/C16H25N3O2/c1-12(2)7-16(5-3-4-6-16)10-17-9-14-13(15(20)21)8-18-11-19-14/h8,11-12,17H,3-7,9-10H2,1-2H3,(H,20,21)
InChIKeyOIOWVIDJZVATHN-UHFFFAOYSA-N
MW291.39 g/mol
LogP2.87
Rot. Bonds7

About 4-[[[1-(2-methylpropyl)cyclopentyl]methylamino]methyl]pyrimidine-5-carboxylic acid

4-[[[1-(2-methylpropyl)cyclopentyl]methylamino]methyl]pyrimidine-5-carboxylic acid (PubChem CID 103259792) has the molecular formula C16H25N3O2 and a molecular weight of 291.39 g/mol. Its IUPAC name is 4-[[[1-(2-methylpropyl)cyclopentyl]methylamino]methyl]pyrimidine-5-carboxylic acid.

Molecular Properties

Compound Name4-[[[1-(2-methylpropyl)cyclopentyl]methylamino]methyl]pyrimidine-5-carboxylic acid
PubChem CID103259792
Molecular FormulaC16H25N3O2
Molecular Weight291.39 g/mol
Exact Mass291.19
IUPAC Name4-[[[1-(2-methylpropyl)cyclopentyl]methylamino]methyl]pyrimidine-5-carboxylic acid
SMILESCC(C)CC1(CNCc2ncncc2C(=O)O)CCCC1
InChIInChI=1S/C16H25N3O2/c1-12(2)7-16(5-3-4-6-16)10-17-9-14-13(15(20)21)8-18-11-19-14/h8,11-12,17H,3-7,9-10H2,1-2H3,(H,20,21)
InChIKeyOIOWVIDJZVATHN-UHFFFAOYSA-N
XLogP2.87
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-[[[1-(2-methylpropyl)cyclopentyl]methylamino]methyl]pyrimidine-5-carboxylic acid with MolForge

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Related Compounds

4-[[(2-methylthiolan-2-yl)methylamino]methyl]pyrimidine-5-carboxylic acid
CID 103259882
1-methyl-5-[[[1-(2-methylpropyl)cyclopentyl]methylamino]methyl]pyrazole-4-carboxylic acid
CID 116631379
4-[(2-methylsulfanylpropylamino)methyl]pyrimidine-5-carboxylic acid
CID 103265434
2-[[[1-(2-methylpropyl)cyclopentyl]methylamino]methyl]furan-3-carboxylic acid
CID 103259795
4-[[(3-ethyl-2-hydroxypentyl)amino]methyl]pyrimidine-5-carboxylic acid
CID 106287935
4-[[2-(3-methylbutoxy)ethylamino]methyl]pyrimidine-5-carboxylic acid
CID 103246867
4-[[(2,2,3,3-tetramethylcyclopropyl)methylamino]methyl]pyrimidine-5-carboxylic acid
CID 103256332
4-[(2-hydroxyethylamino)methyl]pyrimidine-5-carboxylic acid
CID 103238229
4-[(1-ethylcyclopentyl)methylamino]pyrimidine-5-carboxylic acid
CID 114214842
4-[[(1-methoxy-1-oxopropan-2-yl)amino]methyl]pyrimidine-5-carboxylic acid
CID 103245311
4-[[(3-methylcyclohexyl)methylamino]methyl]pyrimidine-5-carboxylic acid
CID 114131379
4-[[(2-methyl-2-methylsulfanylpropyl)amino]methyl]pyrimidine-5-carboxylic acid
CID 103265330

Frequently Asked Questions

What is the IUPAC name of 4-[[[1-(2-methylpropyl)cyclopentyl]methylamino]methyl]pyrimidine-5-carboxylic acid?
The IUPAC name of 4-[[[1-(2-methylpropyl)cyclopentyl]methylamino]methyl]pyrimidine-5-carboxylic acid (CID 103259792) is 4-[[[1-(2-methylpropyl)cyclopentyl]methylamino]methyl]pyrimidine-5-carboxylic acid.
What is the SMILES notation for 4-[[[1-(2-methylpropyl)cyclopentyl]methylamino]methyl]pyrimidine-5-carboxylic acid?
The canonical SMILES for 4-[[[1-(2-methylpropyl)cyclopentyl]methylamino]methyl]pyrimidine-5-carboxylic acid is CC(C)CC1(CNCc2ncncc2C(=O)O)CCCC1.
What is the InChIKey of 4-[[[1-(2-methylpropyl)cyclopentyl]methylamino]methyl]pyrimidine-5-carboxylic acid?
The InChIKey is OIOWVIDJZVATHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O2/c1-12(2)7-16(5-3-4-6-16)10-17-9-14-13(15(20)21)8-18-11-19-14/h8,11-12,17H,3-7,9-10H2,1-2H3,(H,20,21).
What are the key properties of 4-[[[1-(2-methylpropyl)cyclopentyl]methylamino]methyl]pyrimidine-5-carboxylic acid?
4-[[[1-(2-methylpropyl)cyclopentyl]methylamino]methyl]pyrimidine-5-carboxylic acid has a molecular weight of 291.39 g/mol, XLogP of 2.87, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[[1-(2-methylpropyl)cyclopentyl]methylamino]methyl]pyrimidine-5-carboxylic acid is sourced from PubChem (CID 103259792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).