4-N-[(1,4-dimethylpiperazin-2-yl)methyl]-5-methyl-6-N-propylpyrimidine-4,6-diamine

C15H28N6 — CID 80819515

IUPAC4-N-[(1,4-dimethylpiperazin-2-yl)methyl]-5-methyl-6-N-propylpyrimidine-4,6-diamine
SMILESCCCNc1ncnc(NCC2CN(C)CCN2C)c1C
InChIInChI=1S/C15H28N6/c1-5-6-16-14-12(2)15(19-11-18-14)17-9-13-10-20(3)7-8-21(13)4/h11,13H,5-10H2,1-4H3,(H2,16,17,18,19)
InChIKeyZXAPYEQMYACRQV-UHFFFAOYSA-N
MW292.43 g/mol
LogP1.26
Rot. Bonds6

About 4-N-[(1,4-dimethylpiperazin-2-yl)methyl]-5-methyl-6-N-propylpyrimidine-4,6-diamine

4-N-[(1,4-dimethylpiperazin-2-yl)methyl]-5-methyl-6-N-propylpyrimidine-4,6-diamine (PubChem CID 80819515) has the molecular formula C15H28N6 and a molecular weight of 292.43 g/mol. Its IUPAC name is 4-N-[(1,4-dimethylpiperazin-2-yl)methyl]-5-methyl-6-N-propylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-[(1,4-dimethylpiperazin-2-yl)methyl]-5-methyl-6-N-propylpyrimidine-4,6-diamine
PubChem CID80819515
Molecular FormulaC15H28N6
Molecular Weight292.43 g/mol
Exact Mass292.24
IUPAC Name4-N-[(1,4-dimethylpiperazin-2-yl)methyl]-5-methyl-6-N-propylpyrimidine-4,6-diamine
SMILESCCCNc1ncnc(NCC2CN(C)CCN2C)c1C
InChIInChI=1S/C15H28N6/c1-5-6-16-14-12(2)15(19-11-18-14)17-9-13-10-20(3)7-8-21(13)4/h11,13H,5-10H2,1-4H3,(H2,16,17,18,19)
InChIKeyZXAPYEQMYACRQV-UHFFFAOYSA-N
XLogP1.26
TPSA56.32 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.43
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-N-[(1,4-dimethylpiperazin-2-yl)methyl]-5-methyl-6-N-propylpyrimidine-4,6-diamine with MolForge

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Related Compounds

6-chloro-N-[(1,4-dimethylpiperazin-2-yl)methyl]-5-methylpyrimidin-4-amine
CID 63897136
N-[(1,4-dimethylpiperazin-2-yl)methyl]-5-fluoro-6-methylpyrimidin-4-amine
CID 113234222
4-N-[(1,4-dimethylpiperazin-2-yl)methyl]-6-N,5-diethylpyrimidine-4,6-diamine
CID 80819508
4-N-[(1,4-dimethylpiperazin-2-yl)methyl]-5-ethylpyrimidine-4,6-diamine
CID 80839219
6-chloro-4-N-[(1,4-dimethylpiperazin-2-yl)methyl]pyrimidine-4,5-diamine
CID 63897975
N-[(1,4-dimethylpiperazin-2-yl)methyl]-7-methylthieno[3,2-d]pyrimidin-4-amine
CID 102686498
4-N-[(1-ethylpiperidin-4-yl)methyl]-5-methyl-6-N-propylpyrimidine-4,6-diamine
CID 80791601
6-chloro-N-[(1,4-dimethylpiperazin-2-yl)methyl]-5-nitropyrimidin-4-amine
CID 63896770
3-[[[5-methyl-6-(propylamino)pyrimidin-4-yl]amino]methyl]cyclobutan-1-ol
CID 80855486
4-N-(2-cyclopropylethyl)-5-methyl-6-N-propylpyrimidine-4,6-diamine
CID 80847611
4-N-[(1-methylpyrrolidin-3-yl)methyl]-6-N,5-dipropylpyrimidine-4,6-diamine
CID 80774074
6-chloro-N-[(1,4-dimethylpiperazin-2-yl)methyl]-5-methyl-2-propylpyrimidin-4-amine
CID 80968303

Frequently Asked Questions

What is the IUPAC name of 4-N-[(1,4-dimethylpiperazin-2-yl)methyl]-5-methyl-6-N-propylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-[(1,4-dimethylpiperazin-2-yl)methyl]-5-methyl-6-N-propylpyrimidine-4,6-diamine (CID 80819515) is 4-N-[(1,4-dimethylpiperazin-2-yl)methyl]-5-methyl-6-N-propylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-[(1,4-dimethylpiperazin-2-yl)methyl]-5-methyl-6-N-propylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-[(1,4-dimethylpiperazin-2-yl)methyl]-5-methyl-6-N-propylpyrimidine-4,6-diamine is CCCNc1ncnc(NCC2CN(C)CCN2C)c1C.
What is the InChIKey of 4-N-[(1,4-dimethylpiperazin-2-yl)methyl]-5-methyl-6-N-propylpyrimidine-4,6-diamine?
The InChIKey is ZXAPYEQMYACRQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N6/c1-5-6-16-14-12(2)15(19-11-18-14)17-9-13-10-20(3)7-8-21(13)4/h11,13H,5-10H2,1-4H3,(H2,16,17,18,19).
What are the key properties of 4-N-[(1,4-dimethylpiperazin-2-yl)methyl]-5-methyl-6-N-propylpyrimidine-4,6-diamine?
4-N-[(1,4-dimethylpiperazin-2-yl)methyl]-5-methyl-6-N-propylpyrimidine-4,6-diamine has a molecular weight of 292.43 g/mol, XLogP of 1.26, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[(1,4-dimethylpiperazin-2-yl)methyl]-5-methyl-6-N-propylpyrimidine-4,6-diamine is sourced from PubChem (CID 80819515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).