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

C12H22N6 — CID 78954732

IUPAC4-N-[(1,4-dimethylpiperazin-2-yl)methyl]-6-methylpyrimidine-2,4-diamine
SMILESCc1cc(NCC2CN(C)CCN2C)nc(N)n1
InChIInChI=1S/C12H22N6/c1-9-6-11(16-12(13)15-9)14-7-10-8-17(2)4-5-18(10)3/h6,10H,4-5,7-8H2,1-3H3,(H3,13,14,15,16)
InChIKeyKKQQYHYYNIYDEG-UHFFFAOYSA-N
MW250.35 g/mol
LogP0.02
Rot. Bonds3

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

4-N-[(1,4-dimethylpiperazin-2-yl)methyl]-6-methylpyrimidine-2,4-diamine (PubChem CID 78954732) has the molecular formula C12H22N6 and a molecular weight of 250.35 g/mol. Its IUPAC name is 4-N-[(1,4-dimethylpiperazin-2-yl)methyl]-6-methylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-[(1,4-dimethylpiperazin-2-yl)methyl]-6-methylpyrimidine-2,4-diamine
PubChem CID78954732
Molecular FormulaC12H22N6
Molecular Weight250.35 g/mol
Exact Mass250.19
IUPAC Name4-N-[(1,4-dimethylpiperazin-2-yl)methyl]-6-methylpyrimidine-2,4-diamine
SMILESCc1cc(NCC2CN(C)CCN2C)nc(N)n1
InChIInChI=1S/C12H22N6/c1-9-6-11(16-12(13)15-9)14-7-10-8-17(2)4-5-18(10)3/h6,10H,4-5,7-8H2,1-3H3,(H3,13,14,15,16)
InChIKeyKKQQYHYYNIYDEG-UHFFFAOYSA-N
XLogP0.02
TPSA70.31 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.35
LogP ≤ 50.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(1,4-dimethylpiperazin-2-yl)methyl]-4,6-dimethylpyrimidin-2-amine
CID 63899169
6-N-[(1,4-dimethylpiperazin-2-yl)methyl]pyridine-2,6-diamine
CID 80647172
2-[(1,4-dimethylpiperazin-2-yl)methylamino]-4,6-dimethylpyridine-3-carbonitrile
CID 63899165
6-methyl-4-N-[(4-methylcyclohexyl)methyl]pyrimidine-2,4-diamine
CID 78969897
5-N-[(1,4-dimethylpiperazin-2-yl)methyl]-1,2,4-thiadiazole-3,5-diamine
CID 66278571
N-[(1,4-dimethylpiperazin-2-yl)methyl]quinolin-2-amine
CID 63896921
2-N-[(1,4-dimethylpiperazin-2-yl)methyl]-6-ethoxy-1,3,5-triazine-2,4-diamine
CID 80838442
[2-[(1,4-dimethylpiperazin-2-yl)methyl]-6-methylpyrimidin-4-yl]methanamine
CID 113305593
5-N-[(1,4-dimethylpiperazin-2-yl)methyl]pyridine-2,5-diamine
CID 63897051
6-N-methyl-4-N-[(1-methylpyrrolidin-3-yl)methyl]pyrimidine-2,4,6-triamine
CID 80791244
4-N-[(1-methylpyrrolidin-2-yl)methyl]-6-N-propylpyrimidine-2,4,6-triamine
CID 106029078
N-[(1,4-dimethylpiperazin-2-yl)methyl]quinoxalin-2-amine
CID 63898211

Frequently Asked Questions

What is the IUPAC name of 4-N-[(1,4-dimethylpiperazin-2-yl)methyl]-6-methylpyrimidine-2,4-diamine?
The IUPAC name of 4-N-[(1,4-dimethylpiperazin-2-yl)methyl]-6-methylpyrimidine-2,4-diamine (CID 78954732) is 4-N-[(1,4-dimethylpiperazin-2-yl)methyl]-6-methylpyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-[(1,4-dimethylpiperazin-2-yl)methyl]-6-methylpyrimidine-2,4-diamine?
The canonical SMILES for 4-N-[(1,4-dimethylpiperazin-2-yl)methyl]-6-methylpyrimidine-2,4-diamine is Cc1cc(NCC2CN(C)CCN2C)nc(N)n1.
What is the InChIKey of 4-N-[(1,4-dimethylpiperazin-2-yl)methyl]-6-methylpyrimidine-2,4-diamine?
The InChIKey is KKQQYHYYNIYDEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N6/c1-9-6-11(16-12(13)15-9)14-7-10-8-17(2)4-5-18(10)3/h6,10H,4-5,7-8H2,1-3H3,(H3,13,14,15,16).
What are the key properties of 4-N-[(1,4-dimethylpiperazin-2-yl)methyl]-6-methylpyrimidine-2,4-diamine?
4-N-[(1,4-dimethylpiperazin-2-yl)methyl]-6-methylpyrimidine-2,4-diamine has a molecular weight of 250.35 g/mol, XLogP of 0.02, 3 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]-6-methylpyrimidine-2,4-diamine is sourced from PubChem (CID 78954732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).