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

C10H18N6 — CID 80780371

IUPAC4-N-(1-methylpiperidin-4-yl)pyrimidine-2,4,6-triamine
SMILESCN1CCC(Nc2cc(N)nc(N)n2)CC1
InChIInChI=1S/C10H18N6/c1-16-4-2-7(3-5-16)13-9-6-8(11)14-10(12)15-9/h6-7H,2-5H2,1H3,(H5,11,12,13,14,15)
InChIKeyPGCLORFKINIITQ-UHFFFAOYSA-N
MW222.30 g/mol
LogP0.15
Rot. Bonds2

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

4-N-(1-methylpiperidin-4-yl)pyrimidine-2,4,6-triamine (PubChem CID 80780371) has the molecular formula C10H18N6 and a molecular weight of 222.30 g/mol. Its IUPAC name is 4-N-(1-methylpiperidin-4-yl)pyrimidine-2,4,6-triamine.

Molecular Properties

Compound Name4-N-(1-methylpiperidin-4-yl)pyrimidine-2,4,6-triamine
PubChem CID80780371
Molecular FormulaC10H18N6
Molecular Weight222.30 g/mol
Exact Mass222.16
IUPAC Name4-N-(1-methylpiperidin-4-yl)pyrimidine-2,4,6-triamine
SMILESCN1CCC(Nc2cc(N)nc(N)n2)CC1
InChIInChI=1S/C10H18N6/c1-16-4-2-7(3-5-16)13-9-6-8(11)14-10(12)15-9/h6-7H,2-5H2,1H3,(H5,11,12,13,14,15)
InChIKeyPGCLORFKINIITQ-UHFFFAOYSA-N
XLogP0.15
TPSA93.09 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.30
LogP ≤ 50.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

6-cyclohexyl-4-N-(1-methylpiperidin-4-yl)pyrimidine-2,4-diamine
CID 66741584
6-N-(1-methylpiperidin-4-yl)-4-(trifluoromethyl)pyridine-2,6-diamine
CID 102717481
4-N-[(1-methylpiperidin-4-yl)methyl]pyrimidine-2,4,6-triamine
CID 80812495
2-N-(1-methylpiperidin-4-yl)pyrazine-2,6-diamine
CID 80648000
6-tert-butyl-4-N-(1-methylpyrrolidin-3-yl)pyrimidine-2,4-diamine
CID 66740280
6-(4-methylpiperazin-1-yl)-4-N-piperidin-4-ylpyrimidine-2,4-diamine
CID 68551068
6-(1-methylpiperidin-4-yl)oxypyrimidine-2,4-diamine
CID 80873922
4-N-cyclooctyl-2-methylpyrimidine-4,6-diamine
CID 80786651
2-methylsulfanyl-4-N-(1-propylpiperidin-4-yl)pyrimidine-4,6-diamine
CID 80807984
4-N-(1-methylpiperidin-4-yl)thieno[3,2-d]pyrimidine-2,4-diamine
CID 112750428
4-N-cyclopropyl-6-N-ethylpyrimidine-2,4,6-triamine
CID 80766375
N-(1-methylpiperidin-4-yl)pyridin-2-amine;dihydrochloride
CID 174544706

Frequently Asked Questions

What is the IUPAC name of 4-N-(1-methylpiperidin-4-yl)pyrimidine-2,4,6-triamine?
The IUPAC name of 4-N-(1-methylpiperidin-4-yl)pyrimidine-2,4,6-triamine (CID 80780371) is 4-N-(1-methylpiperidin-4-yl)pyrimidine-2,4,6-triamine.
What is the SMILES notation for 4-N-(1-methylpiperidin-4-yl)pyrimidine-2,4,6-triamine?
The canonical SMILES for 4-N-(1-methylpiperidin-4-yl)pyrimidine-2,4,6-triamine is CN1CCC(Nc2cc(N)nc(N)n2)CC1.
What is the InChIKey of 4-N-(1-methylpiperidin-4-yl)pyrimidine-2,4,6-triamine?
The InChIKey is PGCLORFKINIITQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N6/c1-16-4-2-7(3-5-16)13-9-6-8(11)14-10(12)15-9/h6-7H,2-5H2,1H3,(H5,11,12,13,14,15).
What are the key properties of 4-N-(1-methylpiperidin-4-yl)pyrimidine-2,4,6-triamine?
4-N-(1-methylpiperidin-4-yl)pyrimidine-2,4,6-triamine has a molecular weight of 222.30 g/mol, XLogP of 0.15, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(1-methylpiperidin-4-yl)pyrimidine-2,4,6-triamine is sourced from PubChem (CID 80780371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).