N-methyl-6-(1-methylpiperidin-4-yl)-N-(pyrazin-2-ylmethyl)pyrimidin-4-amine

C16H22N6 — CID 46991194

IUPACN-methyl-6-(1-methylpiperidin-4-yl)-N-(pyrazin-2-ylmethyl)pyrimidin-4-amine
SMILESCN1CCC(c2cc(N(C)Cc3cnccn3)ncn2)CC1
InChIInChI=1S/C16H22N6/c1-21-7-3-13(4-8-21)15-9-16(20-12-19-15)22(2)11-14-10-17-5-6-18-14/h5-6,9-10,12-13H,3-4,7-8,11H2,1-2H3
InChIKeyZCMADLZLPSNLMJ-UHFFFAOYSA-N
MW298.39 g/mol
LogP1.71
Rot. Bonds4

About N-methyl-6-(1-methylpiperidin-4-yl)-N-(pyrazin-2-ylmethyl)pyrimidin-4-amine

N-methyl-6-(1-methylpiperidin-4-yl)-N-(pyrazin-2-ylmethyl)pyrimidin-4-amine (PubChem CID 46991194) has the molecular formula C16H22N6 and a molecular weight of 298.39 g/mol. Its IUPAC name is N-methyl-6-(1-methylpiperidin-4-yl)-N-(pyrazin-2-ylmethyl)pyrimidin-4-amine.

Molecular Properties

Compound NameN-methyl-6-(1-methylpiperidin-4-yl)-N-(pyrazin-2-ylmethyl)pyrimidin-4-amine
PubChem CID46991194
Molecular FormulaC16H22N6
Molecular Weight298.39 g/mol
Exact Mass298.19
IUPAC NameN-methyl-6-(1-methylpiperidin-4-yl)-N-(pyrazin-2-ylmethyl)pyrimidin-4-amine
SMILESCN1CCC(c2cc(N(C)Cc3cnccn3)ncn2)CC1
InChIInChI=1S/C16H22N6/c1-21-7-3-13(4-8-21)15-9-16(20-12-19-15)22(2)11-14-10-17-5-6-18-14/h5-6,9-10,12-13H,3-4,7-8,11H2,1-2H3
InChIKeyZCMADLZLPSNLMJ-UHFFFAOYSA-N
XLogP1.71
TPSA58.04 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-[(6-cyclopropylpyrimidin-4-yl)-methylamino]propanenitrile
CID 126848090
N,N-dimethyl-N'-[6-(1-methylpiperidin-4-yl)pyrimidin-4-yl]-N'-[[(2R)-oxolan-2-yl]methyl]ethane-1,2-diamine
CID 95046435
6-(3-aminocyclobutyl)-N-[(5-cyclopropyl-1,2-oxazol-3-yl)methyl]-N-methylpyrimidin-4-amine;dihydrochloride
CID 154902047
4-(1-methylpiperidin-4-yl)-6-(piperidin-1-ylmethyl)pyrimidine
CID 172524123
2-[(6-cyclopropylpyrimidin-4-yl)-methylamino]acetic acid
CID 83833677
5-bromo-N-methyl-N-(pyrazin-2-ylmethyl)pyridin-2-amine
CID 133448669
N-methyl-N-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]-6-[(3R)-piperidin-3-yl]pyrimidin-4-amine
CID 95219621
6-(3-aminocyclobutyl)-N-methyl-N-(1,3-thiazol-2-ylmethyl)pyrimidin-4-amine;dihydrochloride
CID 154902032
3-[6-[benzyl(methyl)amino]pyrimidin-4-yl]cyclobutan-1-ol
CID 91775340
6-ethyl-N,2-dimethyl-N-(pyrazin-2-ylmethyl)pyrimidin-4-amine
CID 133460950
6-ethoxy-N-methyl-N-(pyrazin-2-ylmethyl)pyrazin-2-amine
CID 133433906
6-(3-aminocyclobutyl)-N-methyl-N-[[2-(methylamino)pyrimidin-5-yl]methyl]pyrimidin-4-amine;dihydrochloride
CID 154903096

Frequently Asked Questions

What is the IUPAC name of N-methyl-6-(1-methylpiperidin-4-yl)-N-(pyrazin-2-ylmethyl)pyrimidin-4-amine?
The IUPAC name of N-methyl-6-(1-methylpiperidin-4-yl)-N-(pyrazin-2-ylmethyl)pyrimidin-4-amine (CID 46991194) is N-methyl-6-(1-methylpiperidin-4-yl)-N-(pyrazin-2-ylmethyl)pyrimidin-4-amine.
What is the SMILES notation for N-methyl-6-(1-methylpiperidin-4-yl)-N-(pyrazin-2-ylmethyl)pyrimidin-4-amine?
The canonical SMILES for N-methyl-6-(1-methylpiperidin-4-yl)-N-(pyrazin-2-ylmethyl)pyrimidin-4-amine is CN1CCC(c2cc(N(C)Cc3cnccn3)ncn2)CC1.
What is the InChIKey of N-methyl-6-(1-methylpiperidin-4-yl)-N-(pyrazin-2-ylmethyl)pyrimidin-4-amine?
The InChIKey is ZCMADLZLPSNLMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N6/c1-21-7-3-13(4-8-21)15-9-16(20-12-19-15)22(2)11-14-10-17-5-6-18-14/h5-6,9-10,12-13H,3-4,7-8,11H2,1-2H3.
What are the key properties of N-methyl-6-(1-methylpiperidin-4-yl)-N-(pyrazin-2-ylmethyl)pyrimidin-4-amine?
N-methyl-6-(1-methylpiperidin-4-yl)-N-(pyrazin-2-ylmethyl)pyrimidin-4-amine has a molecular weight of 298.39 g/mol, XLogP of 1.71, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-6-(1-methylpiperidin-4-yl)-N-(pyrazin-2-ylmethyl)pyrimidin-4-amine is sourced from PubChem (CID 46991194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).