4-N-methyl-4-N-[(1-methylpiperidin-4-yl)methyl]pyrimidine-2,4,6-triamine

C12H22N6 — CID 80828094

IUPAC4-N-methyl-4-N-[(1-methylpiperidin-4-yl)methyl]pyrimidine-2,4,6-triamine
SMILESCN1CCC(CN(C)c2cc(N)nc(N)n2)CC1
InChIInChI=1S/C12H22N6/c1-17-5-3-9(4-6-17)8-18(2)11-7-10(13)15-12(14)16-11/h7,9H,3-6,8H2,1-2H3,(H4,13,14,15,16)
InChIKeyBQXFKNAWBBSPAJ-UHFFFAOYSA-N
MW250.35 g/mol
LogP0.42
Rot. Bonds3

About 4-N-methyl-4-N-[(1-methylpiperidin-4-yl)methyl]pyrimidine-2,4,6-triamine

4-N-methyl-4-N-[(1-methylpiperidin-4-yl)methyl]pyrimidine-2,4,6-triamine (PubChem CID 80828094) has the molecular formula C12H22N6 and a molecular weight of 250.35 g/mol. Its IUPAC name is 4-N-methyl-4-N-[(1-methylpiperidin-4-yl)methyl]pyrimidine-2,4,6-triamine.

Molecular Properties

Compound Name4-N-methyl-4-N-[(1-methylpiperidin-4-yl)methyl]pyrimidine-2,4,6-triamine
PubChem CID80828094
Molecular FormulaC12H22N6
Molecular Weight250.35 g/mol
Exact Mass250.19
IUPAC Name4-N-methyl-4-N-[(1-methylpiperidin-4-yl)methyl]pyrimidine-2,4,6-triamine
SMILESCN1CCC(CN(C)c2cc(N)nc(N)n2)CC1
InChIInChI=1S/C12H22N6/c1-17-5-3-9(4-6-17)8-18(2)11-7-10(13)15-12(14)16-11/h7,9H,3-6,8H2,1-2H3,(H4,13,14,15,16)
InChIKeyBQXFKNAWBBSPAJ-UHFFFAOYSA-N
XLogP0.42
TPSA84.30 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 ≤ 50.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-[[(2,6-diaminopyrimidin-4-yl)-methylamino]methyl]cyclobutan-1-ol
CID 80855794
6-chloro-N,2-dimethyl-N-[(1-methylpiperidin-4-yl)methyl]pyrimidin-4-amine
CID 63235310
4-N-methyl-4-N-[(1-methylpyrrolidin-3-yl)methyl]pyrimidine-4,6-diamine
CID 80829312
6-chloro-4-N-methyl-4-N-[(1-methylpiperidin-3-yl)methyl]pyrimidine-2,4-diamine
CID 133315062
6-chloro-2-ethyl-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]pyrimidin-4-amine
CID 80936193
6-chloro-2-cyclopropyl-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]pyrimidin-4-amine
CID 80951503
2-tert-butyl-4-N-(cyclopropylmethyl)-4-N-methylpyrimidine-4,6-diamine
CID 80967726
2-N-methyl-2-N-[(1-methylpyrrolidin-3-yl)methyl]pyrazine-2,6-diamine
CID 80647121
2-cyclopropyl-4-N,6-N-dimethyl-4-N-[(1-methylpiperidin-4-yl)methyl]pyrimidine-4,6-diamine
CID 80959120
6-chloro-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]-2-propan-2-ylpyrimidin-4-amine
CID 80951430
4-N-[(1-methylpiperidin-4-yl)methyl]pyrimidine-2,4,6-triamine
CID 80812495
1-[4-[[(2-amino-6-methylpyrimidin-4-yl)-methylamino]methyl]piperidin-1-yl]propan-2-ol
CID 56778041

Frequently Asked Questions

What is the IUPAC name of 4-N-methyl-4-N-[(1-methylpiperidin-4-yl)methyl]pyrimidine-2,4,6-triamine?
The IUPAC name of 4-N-methyl-4-N-[(1-methylpiperidin-4-yl)methyl]pyrimidine-2,4,6-triamine (CID 80828094) is 4-N-methyl-4-N-[(1-methylpiperidin-4-yl)methyl]pyrimidine-2,4,6-triamine.
What is the SMILES notation for 4-N-methyl-4-N-[(1-methylpiperidin-4-yl)methyl]pyrimidine-2,4,6-triamine?
The canonical SMILES for 4-N-methyl-4-N-[(1-methylpiperidin-4-yl)methyl]pyrimidine-2,4,6-triamine is CN1CCC(CN(C)c2cc(N)nc(N)n2)CC1.
What is the InChIKey of 4-N-methyl-4-N-[(1-methylpiperidin-4-yl)methyl]pyrimidine-2,4,6-triamine?
The InChIKey is BQXFKNAWBBSPAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N6/c1-17-5-3-9(4-6-17)8-18(2)11-7-10(13)15-12(14)16-11/h7,9H,3-6,8H2,1-2H3,(H4,13,14,15,16).
What are the key properties of 4-N-methyl-4-N-[(1-methylpiperidin-4-yl)methyl]pyrimidine-2,4,6-triamine?
4-N-methyl-4-N-[(1-methylpiperidin-4-yl)methyl]pyrimidine-2,4,6-triamine has a molecular weight of 250.35 g/mol, XLogP of 0.42, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-methyl-4-N-[(1-methylpiperidin-4-yl)methyl]pyrimidine-2,4,6-triamine is sourced from PubChem (CID 80828094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).