2-[[3-(dimethylamino)-2,2-dimethylpropyl]amino]-4-methylpyrimidine-5-carboxylic acid

C13H22N4O2 — CID 83182016

IUPAC2-[[3-(dimethylamino)-2,2-dimethylpropyl]amino]-4-methylpyrimidine-5-carboxylic acid
SMILESCc1nc(NCC(C)(C)CN(C)C)ncc1C(=O)O
InChIInChI=1S/C13H22N4O2/c1-9-10(11(18)19)6-14-12(16-9)15-7-13(2,3)8-17(4)5/h6H,7-8H2,1-5H3,(H,18,19)(H,14,15,16)
InChIKeyMHOXQYKAPVTHBF-UHFFFAOYSA-N
MW266.34 g/mol
LogP1.48
Rot. Bonds6

About 2-[[3-(dimethylamino)-2,2-dimethylpropyl]amino]-4-methylpyrimidine-5-carboxylic acid

2-[[3-(dimethylamino)-2,2-dimethylpropyl]amino]-4-methylpyrimidine-5-carboxylic acid (PubChem CID 83182016) has the molecular formula C13H22N4O2 and a molecular weight of 266.34 g/mol. Its IUPAC name is 2-[[3-(dimethylamino)-2,2-dimethylpropyl]amino]-4-methylpyrimidine-5-carboxylic acid.

Molecular Properties

Compound Name2-[[3-(dimethylamino)-2,2-dimethylpropyl]amino]-4-methylpyrimidine-5-carboxylic acid
PubChem CID83182016
Molecular FormulaC13H22N4O2
Molecular Weight266.34 g/mol
Exact Mass266.17
IUPAC Name2-[[3-(dimethylamino)-2,2-dimethylpropyl]amino]-4-methylpyrimidine-5-carboxylic acid
SMILESCc1nc(NCC(C)(C)CN(C)C)ncc1C(=O)O
InChIInChI=1S/C13H22N4O2/c1-9-10(11(18)19)6-14-12(16-9)15-7-13(2,3)8-17(4)5/h6H,7-8H2,1-5H3,(H,18,19)(H,14,15,16)
InChIKeyMHOXQYKAPVTHBF-UHFFFAOYSA-N
XLogP1.48
TPSA78.35 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(2-hydroxy-2,4-dimethylpentyl)amino]-4-methylpyrimidine-5-carboxylic acid
CID 114093632
2-[2-(dimethylcarbamoylamino)ethylamino]-4-methylpyrimidine-5-carboxylic acid
CID 83184782
2-[2-[ethyl(methyl)amino]ethylamino]-4-methylpyrimidine-5-carboxylic acid
CID 83181383
2-(methoxyamino)-4-methylpyrimidine-5-carboxylic acid
CID 90980975
2-[(dimethylamino)methyl]-4-methylpyrimidine-5-carboxylic acid
CID 79088609
4-methyl-2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethylamino]pyrimidine-5-carboxylic acid
CID 114518096
2-[(2-ethylphenyl)methylamino]-4-methylpyrimidine-5-carboxylic acid
CID 83181251
4-methyl-2-(1,3-thiazol-4-ylmethylamino)pyrimidine-5-carboxylic acid
CID 83181391
2-(cyclopentylmethylamino)-4-methylpyrimidine-5-carboxylic acid
CID 83181809
2-[2-[cyclopentyl(methyl)amino]ethylamino]-4-methylpyrimidine-5-carboxylic acid
CID 83181981
4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pyrimidine-5-carboxylic acid
CID 136575644
4-methyl-2-[(6-methyl-2-pyridinyl)methylamino]pyrimidine-5-carboxylic acid
CID 83181382

Frequently Asked Questions

What is the IUPAC name of 2-[[3-(dimethylamino)-2,2-dimethylpropyl]amino]-4-methylpyrimidine-5-carboxylic acid?
The IUPAC name of 2-[[3-(dimethylamino)-2,2-dimethylpropyl]amino]-4-methylpyrimidine-5-carboxylic acid (CID 83182016) is 2-[[3-(dimethylamino)-2,2-dimethylpropyl]amino]-4-methylpyrimidine-5-carboxylic acid.
What is the SMILES notation for 2-[[3-(dimethylamino)-2,2-dimethylpropyl]amino]-4-methylpyrimidine-5-carboxylic acid?
The canonical SMILES for 2-[[3-(dimethylamino)-2,2-dimethylpropyl]amino]-4-methylpyrimidine-5-carboxylic acid is Cc1nc(NCC(C)(C)CN(C)C)ncc1C(=O)O.
What is the InChIKey of 2-[[3-(dimethylamino)-2,2-dimethylpropyl]amino]-4-methylpyrimidine-5-carboxylic acid?
The InChIKey is MHOXQYKAPVTHBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O2/c1-9-10(11(18)19)6-14-12(16-9)15-7-13(2,3)8-17(4)5/h6H,7-8H2,1-5H3,(H,18,19)(H,14,15,16).
What are the key properties of 2-[[3-(dimethylamino)-2,2-dimethylpropyl]amino]-4-methylpyrimidine-5-carboxylic acid?
2-[[3-(dimethylamino)-2,2-dimethylpropyl]amino]-4-methylpyrimidine-5-carboxylic acid has a molecular weight of 266.34 g/mol, XLogP of 1.48, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(dimethylamino)-2,2-dimethylpropyl]amino]-4-methylpyrimidine-5-carboxylic acid is sourced from PubChem (CID 83182016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).