6-methyl-2-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]pyrimidine-4-carboxylic acid

C14H22N4O2 — CID 107553927

IUPAC6-methyl-2-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]pyrimidine-4-carboxylic acid
SMILESCc1cc(C(=O)O)nc(N(C)CC2CCN(C)CC2)n1
InChIInChI=1S/C14H22N4O2/c1-10-8-12(13(19)20)16-14(15-10)18(3)9-11-4-6-17(2)7-5-11/h8,11H,4-7,9H2,1-3H3,(H,19,20)
InChIKeyDZFFFZDYMNAPCM-UHFFFAOYSA-N
MW278.36 g/mol
LogP1.26
Rot. Bonds4

About 6-methyl-2-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]pyrimidine-4-carboxylic acid

6-methyl-2-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]pyrimidine-4-carboxylic acid (PubChem CID 107553927) has the molecular formula C14H22N4O2 and a molecular weight of 278.36 g/mol. Its IUPAC name is 6-methyl-2-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]pyrimidine-4-carboxylic acid.

Molecular Properties

Compound Name6-methyl-2-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]pyrimidine-4-carboxylic acid
PubChem CID107553927
Molecular FormulaC14H22N4O2
Molecular Weight278.36 g/mol
Exact Mass278.17
IUPAC Name6-methyl-2-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]pyrimidine-4-carboxylic acid
SMILESCc1cc(C(=O)O)nc(N(C)CC2CCN(C)CC2)n1
InChIInChI=1S/C14H22N4O2/c1-10-8-12(13(19)20)16-14(15-10)18(3)9-11-4-6-17(2)7-5-11/h8,11H,4-7,9H2,1-3H3,(H,19,20)
InChIKeyDZFFFZDYMNAPCM-UHFFFAOYSA-N
XLogP1.26
TPSA69.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-methyl-2-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]pyrimidine-4-carboximidamide
CID 107550498
4-methyl-2-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]pyrimidine-5-carboxylic acid
CID 83181099
4-(aminomethyl)-N,6-dimethyl-N-[(1-methylpyrrolidin-3-yl)methyl]pyrimidin-2-amine
CID 107542009
2-[cyclopropyl(methyl)amino]-6-methylpyrimidine-4-carboxylic acid
CID 107553609
6-methyl-2-[methyl-(4-methylcyclohexyl)amino]pyrimidine-4-carboxylic acid
CID 107553809
6-[methyl-[(1-methylpiperidin-4-yl)methyl]carbamoyl]pyridine-2-carboxylic acid
CID 63235015
2-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]pyrimidine-4-carbothioamide
CID 107547438
2-[1-cyclopropylethyl(methyl)amino]-6-methylpyrimidine-4-carboxylic acid
CID 107553650
6-chloro-N,2-dimethyl-N-[(1-methylpiperidin-4-yl)methyl]pyrimidin-4-amine
CID 63235310
4-methyl-2-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]pyrimidine-5-carboxylic acid
CID 83181466
3-(chloromethyl)-N,4,6-trimethyl-N-[(1-methylpiperidin-4-yl)methyl]pyridin-2-amine
CID 63236337
2-[(2-bromophenyl)methyl-methylamino]-6-methylpyrimidine-4-carboxylic acid
CID 107553781

Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]pyrimidine-4-carboxylic acid?
The IUPAC name of 6-methyl-2-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]pyrimidine-4-carboxylic acid (CID 107553927) is 6-methyl-2-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]pyrimidine-4-carboxylic acid.
What is the SMILES notation for 6-methyl-2-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]pyrimidine-4-carboxylic acid?
The canonical SMILES for 6-methyl-2-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]pyrimidine-4-carboxylic acid is Cc1cc(C(=O)O)nc(N(C)CC2CCN(C)CC2)n1.
What is the InChIKey of 6-methyl-2-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]pyrimidine-4-carboxylic acid?
The InChIKey is DZFFFZDYMNAPCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O2/c1-10-8-12(13(19)20)16-14(15-10)18(3)9-11-4-6-17(2)7-5-11/h8,11H,4-7,9H2,1-3H3,(H,19,20).
What are the key properties of 6-methyl-2-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]pyrimidine-4-carboxylic acid?
6-methyl-2-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]pyrimidine-4-carboxylic acid has a molecular weight of 278.36 g/mol, XLogP of 1.26, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]pyrimidine-4-carboxylic acid is sourced from PubChem (CID 107553927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).