4-N-methyl-6-N-piperidin-4-yl-4-N-propylpyrimidine-4,6-diamine

C13H23N5 — CID 115264217

IUPAC4-N-methyl-6-N-piperidin-4-yl-4-N-propylpyrimidine-4,6-diamine
SMILESCCCN(C)c1cc(NC2CCNCC2)ncn1
InChIInChI=1S/C13H23N5/c1-3-8-18(2)13-9-12(15-10-16-13)17-11-4-6-14-7-5-11/h9-11,14H,3-8H2,1-2H3,(H,15,16,17)
InChIKeySDKZATYGQWHXEJ-UHFFFAOYSA-N
MW249.36 g/mol
LogP1.49
Rot. Bonds5

About 4-N-methyl-6-N-piperidin-4-yl-4-N-propylpyrimidine-4,6-diamine

4-N-methyl-6-N-piperidin-4-yl-4-N-propylpyrimidine-4,6-diamine (PubChem CID 115264217) has the molecular formula C13H23N5 and a molecular weight of 249.36 g/mol. Its IUPAC name is 4-N-methyl-6-N-piperidin-4-yl-4-N-propylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-methyl-6-N-piperidin-4-yl-4-N-propylpyrimidine-4,6-diamine
PubChem CID115264217
Molecular FormulaC13H23N5
Molecular Weight249.36 g/mol
Exact Mass249.20
IUPAC Name4-N-methyl-6-N-piperidin-4-yl-4-N-propylpyrimidine-4,6-diamine
SMILESCCCN(C)c1cc(NC2CCNCC2)ncn1
InChIInChI=1S/C13H23N5/c1-3-8-18(2)13-9-12(15-10-16-13)17-11-4-6-14-7-5-11/h9-11,14H,3-8H2,1-2H3,(H,15,16,17)
InChIKeySDKZATYGQWHXEJ-UHFFFAOYSA-N
XLogP1.49
TPSA53.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-N-methyl-4-N-(2-methylpropyl)-6-N-piperidin-4-ylpyrimidine-4,6-diamine
CID 115264218
N-(6-propylpyrimidin-4-yl)azepan-4-amine
CID 107173664
6-N-cyclopentyl-4-N,4-N-dimethylpyrimidine-4,6-diamine
CID 122281906
6-methoxy-N-piperidin-4-ylpyrimidin-4-amine
CID 66319414
6-(2,2-dimethylpropyl)-N-piperidin-4-ylpyrimidin-4-amine
CID 126848327
6-N-cyclopropyl-4-N-methyl-4-N-[(3R)-piperidin-3-yl]pyrimidine-4,6-diamine
CID 96555845
6-N-(2-methoxyethyl)-4-N-piperidin-4-ylpyrimidine-4,6-diamine
CID 94672485
6-N-cyclobutyl-4-N-pyrrolidin-3-ylpyrimidine-4,6-diamine
CID 115264180
2-[4-[[6-[ethyl(methyl)amino]pyrimidin-4-yl]amino]piperidin-1-yl]acetic acid
CID 135109087
6-ethoxy-N-pyrrolidin-3-ylpyrimidin-4-amine
CID 66319236
4-N-methyl-6-N-[(3R)-oxan-3-yl]-4-N-(2-pyrazol-1-ylethyl)pyrimidine-4,6-diamine
CID 129341786
4-N-methyl-6-N-[2-methyl-1-(methylamino)propan-2-yl]-4-N-propylpyrimidine-4,6-diamine
CID 115264458

Frequently Asked Questions

What is the IUPAC name of 4-N-methyl-6-N-piperidin-4-yl-4-N-propylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-methyl-6-N-piperidin-4-yl-4-N-propylpyrimidine-4,6-diamine (CID 115264217) is 4-N-methyl-6-N-piperidin-4-yl-4-N-propylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-methyl-6-N-piperidin-4-yl-4-N-propylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-methyl-6-N-piperidin-4-yl-4-N-propylpyrimidine-4,6-diamine is CCCN(C)c1cc(NC2CCNCC2)ncn1.
What is the InChIKey of 4-N-methyl-6-N-piperidin-4-yl-4-N-propylpyrimidine-4,6-diamine?
The InChIKey is SDKZATYGQWHXEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N5/c1-3-8-18(2)13-9-12(15-10-16-13)17-11-4-6-14-7-5-11/h9-11,14H,3-8H2,1-2H3,(H,15,16,17).
What are the key properties of 4-N-methyl-6-N-piperidin-4-yl-4-N-propylpyrimidine-4,6-diamine?
4-N-methyl-6-N-piperidin-4-yl-4-N-propylpyrimidine-4,6-diamine has a molecular weight of 249.36 g/mol, XLogP of 1.49, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-methyl-6-N-piperidin-4-yl-4-N-propylpyrimidine-4,6-diamine is sourced from PubChem (CID 115264217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).