4-[methyl(2-methylpropyl)amino]-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine-2-carboxylic acid

C13H20N4O2 — CID 115145149

IUPAC4-[methyl(2-methylpropyl)amino]-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine-2-carboxylic acid
SMILESCC(C)CN(C)c1nc(C(=O)O)nc2c1CNCC2
InChIInChI=1S/C13H20N4O2/c1-8(2)7-17(3)12-9-6-14-5-4-10(9)15-11(16-12)13(18)19/h8,14H,4-7H2,1-3H3,(H,18,19)
InChIKeyWVAUWUUGPMYACU-UHFFFAOYSA-N
MW264.33 g/mol
LogP0.91
Rot. Bonds4

About 4-[methyl(2-methylpropyl)amino]-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine-2-carboxylic acid

4-[methyl(2-methylpropyl)amino]-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine-2-carboxylic acid (PubChem CID 115145149) has the molecular formula C13H20N4O2 and a molecular weight of 264.33 g/mol. Its IUPAC name is 4-[methyl(2-methylpropyl)amino]-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine-2-carboxylic acid.

Molecular Properties

Compound Name4-[methyl(2-methylpropyl)amino]-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine-2-carboxylic acid
PubChem CID115145149
Molecular FormulaC13H20N4O2
Molecular Weight264.33 g/mol
Exact Mass264.16
IUPAC Name4-[methyl(2-methylpropyl)amino]-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine-2-carboxylic acid
SMILESCC(C)CN(C)c1nc(C(=O)O)nc2c1CNCC2
InChIInChI=1S/C13H20N4O2/c1-8(2)7-17(3)12-9-6-14-5-4-10(9)15-11(16-12)13(18)19/h8,14H,4-7H2,1-3H3,(H,18,19)
InChIKeyWVAUWUUGPMYACU-UHFFFAOYSA-N
XLogP0.91
TPSA78.35 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N,2-dimethyl-N-(2-methylpropyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine
CID 115145261
N-methyl-N-(2-methylpropyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine
CID 81223373
N,2-dimethyl-N-(3-methylbutyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine
CID 115145301
4-N-methyl-4-N-(3-methylbutyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine-2,4-diamine
CID 115145070
N-(2-methylpropyl)-N-propan-2-yl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine
CID 81223378
2-bromo-N-(2,2-dimethylpropyl)-N-methyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine
CID 115145210
2-(4-methoxy-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl)acetic acid
CID 83891041
2-methyl-4-(2-methylpropyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
CID 83848319
N-cyclopentyl-N-(2-methylpropyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine
CID 81223559
4-methoxy-5,6,7,8-tetrahydroquinazoline-2-carboxylic acid
CID 105461530
(1R)-3-[(2-cyclopropyl-6,7,8,9-tetrahydro-5H-pyrimido[4,5-d]azepin-4-yl)-methylamino]-1-phenylpropan-1-ol
CID 95880758
1-(2-methylpropyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxylic acid
CID 105480647

Frequently Asked Questions

What is the IUPAC name of 4-[methyl(2-methylpropyl)amino]-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine-2-carboxylic acid?
The IUPAC name of 4-[methyl(2-methylpropyl)amino]-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine-2-carboxylic acid (CID 115145149) is 4-[methyl(2-methylpropyl)amino]-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine-2-carboxylic acid.
What is the SMILES notation for 4-[methyl(2-methylpropyl)amino]-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine-2-carboxylic acid?
The canonical SMILES for 4-[methyl(2-methylpropyl)amino]-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine-2-carboxylic acid is CC(C)CN(C)c1nc(C(=O)O)nc2c1CNCC2.
What is the InChIKey of 4-[methyl(2-methylpropyl)amino]-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine-2-carboxylic acid?
The InChIKey is WVAUWUUGPMYACU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O2/c1-8(2)7-17(3)12-9-6-14-5-4-10(9)15-11(16-12)13(18)19/h8,14H,4-7H2,1-3H3,(H,18,19).
What are the key properties of 4-[methyl(2-methylpropyl)amino]-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine-2-carboxylic acid?
4-[methyl(2-methylpropyl)amino]-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine-2-carboxylic acid has a molecular weight of 264.33 g/mol, XLogP of 0.91, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[methyl(2-methylpropyl)amino]-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine-2-carboxylic acid is sourced from PubChem (CID 115145149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).