2-N,2-N-dimethyl-4-N-[(1-methylpiperidin-4-yl)methyl]pyrimidine-2,4-diamine

C13H23N5 — CID 64829485

IUPAC2-N,2-N-dimethyl-4-N-[(1-methylpiperidin-4-yl)methyl]pyrimidine-2,4-diamine
SMILESCN1CCC(CNc2ccnc(N(C)C)n2)CC1
InChIInChI=1S/C13H23N5/c1-17(2)13-14-7-4-12(16-13)15-10-11-5-8-18(3)9-6-11/h4,7,11H,5-6,8-10H2,1-3H3,(H,14,15,16)
InChIKeyYAYRFVAXPSYHDM-UHFFFAOYSA-N
MW249.36 g/mol
LogP1.30
Rot. Bonds4

About 2-N,2-N-dimethyl-4-N-[(1-methylpiperidin-4-yl)methyl]pyrimidine-2,4-diamine

2-N,2-N-dimethyl-4-N-[(1-methylpiperidin-4-yl)methyl]pyrimidine-2,4-diamine (PubChem CID 64829485) has the molecular formula C13H23N5 and a molecular weight of 249.36 g/mol. Its IUPAC name is 2-N,2-N-dimethyl-4-N-[(1-methylpiperidin-4-yl)methyl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N,2-N-dimethyl-4-N-[(1-methylpiperidin-4-yl)methyl]pyrimidine-2,4-diamine
PubChem CID64829485
Molecular FormulaC13H23N5
Molecular Weight249.36 g/mol
Exact Mass249.20
IUPAC Name2-N,2-N-dimethyl-4-N-[(1-methylpiperidin-4-yl)methyl]pyrimidine-2,4-diamine
SMILESCN1CCC(CNc2ccnc(N(C)C)n2)CC1
InChIInChI=1S/C13H23N5/c1-17(2)13-14-7-4-12(16-13)15-10-11-5-8-18(3)9-6-11/h4,7,11H,5-6,8-10H2,1-3H3,(H,14,15,16)
InChIKeyYAYRFVAXPSYHDM-UHFFFAOYSA-N
XLogP1.30
TPSA44.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-N-(2-cyclobutylethyl)-2-N,2-N-dimethylpyrimidine-2,4-diamine
CID 115689924
6-N-[(1-methylpiperidin-4-yl)methyl]pyridine-2,6-diamine
CID 80647279
6-ethoxy-N-[(1-methylpiperidin-4-yl)methyl]pyridin-2-amine
CID 63591478
2-N,2-N-dimethyl-5-N-[(1-methylpiperidin-4-yl)methyl]pyridine-2,5-diamine
CID 55100280
2-N,2-N-dimethyl-4-N-(thian-2-ylmethyl)pyrimidine-2,4-diamine
CID 80612818
4-N-[(4-ethylmorpholin-2-yl)methyl]-2-N,2-N-dimethylpyrimidine-2,4-diamine
CID 115643858
2-N-methyl-4-N-[2-(1-methylpiperidin-4-yl)ethyl]pyrimidine-2,4-diamine
CID 114516993
2-N,2-N-dimethyl-4-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]pyrimidine-2,4-diamine
CID 104972916
2-N-ethyl-4-N-[2-(1-methylpiperidin-4-yl)ethyl]pyrimidine-2,4-diamine
CID 114517041
N-[[1-(2,2-difluoroethyl)piperidin-4-yl]methyl]-2-methylpyrimidin-4-amine
CID 122141876
3-amino-6-[(1-methylpiperidin-4-yl)methylamino]pyridine-2-carbonitrile
CID 103468076
2-N-methyl-4-N-[(1-methylpiperidin-3-yl)methyl]pyrimidine-2,4-diamine
CID 80811984

Frequently Asked Questions

What is the IUPAC name of 2-N,2-N-dimethyl-4-N-[(1-methylpiperidin-4-yl)methyl]pyrimidine-2,4-diamine?
The IUPAC name of 2-N,2-N-dimethyl-4-N-[(1-methylpiperidin-4-yl)methyl]pyrimidine-2,4-diamine (CID 64829485) is 2-N,2-N-dimethyl-4-N-[(1-methylpiperidin-4-yl)methyl]pyrimidine-2,4-diamine.
What is the SMILES notation for 2-N,2-N-dimethyl-4-N-[(1-methylpiperidin-4-yl)methyl]pyrimidine-2,4-diamine?
The canonical SMILES for 2-N,2-N-dimethyl-4-N-[(1-methylpiperidin-4-yl)methyl]pyrimidine-2,4-diamine is CN1CCC(CNc2ccnc(N(C)C)n2)CC1.
What is the InChIKey of 2-N,2-N-dimethyl-4-N-[(1-methylpiperidin-4-yl)methyl]pyrimidine-2,4-diamine?
The InChIKey is YAYRFVAXPSYHDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N5/c1-17(2)13-14-7-4-12(16-13)15-10-11-5-8-18(3)9-6-11/h4,7,11H,5-6,8-10H2,1-3H3,(H,14,15,16).
What are the key properties of 2-N,2-N-dimethyl-4-N-[(1-methylpiperidin-4-yl)methyl]pyrimidine-2,4-diamine?
2-N,2-N-dimethyl-4-N-[(1-methylpiperidin-4-yl)methyl]pyrimidine-2,4-diamine has a molecular weight of 249.36 g/mol, XLogP of 1.30, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,2-N-dimethyl-4-N-[(1-methylpiperidin-4-yl)methyl]pyrimidine-2,4-diamine is sourced from PubChem (CID 64829485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).