4-N-[2-(1-methylpiperidin-4-yl)ethyl]-6-N-propylpyrimidine-2,4,6-triamine

C15H28N6 — CID 114516943

IUPAC4-N-[2-(1-methylpiperidin-4-yl)ethyl]-6-N-propylpyrimidine-2,4,6-triamine
SMILESCCCNc1cc(NCCC2CCN(C)CC2)nc(N)n1
InChIInChI=1S/C15H28N6/c1-3-7-17-13-11-14(20-15(16)19-13)18-8-4-12-5-9-21(2)10-6-12/h11-12H,3-10H2,1-2H3,(H4,16,17,18,19,20)
InChIKeyFSDWIOFNWIYRBZ-UHFFFAOYSA-N
MW292.43 g/mol
LogP2.02
Rot. Bonds7

About 4-N-[2-(1-methylpiperidin-4-yl)ethyl]-6-N-propylpyrimidine-2,4,6-triamine

4-N-[2-(1-methylpiperidin-4-yl)ethyl]-6-N-propylpyrimidine-2,4,6-triamine (PubChem CID 114516943) has the molecular formula C15H28N6 and a molecular weight of 292.43 g/mol. Its IUPAC name is 4-N-[2-(1-methylpiperidin-4-yl)ethyl]-6-N-propylpyrimidine-2,4,6-triamine.

Molecular Properties

Compound Name4-N-[2-(1-methylpiperidin-4-yl)ethyl]-6-N-propylpyrimidine-2,4,6-triamine
PubChem CID114516943
Molecular FormulaC15H28N6
Molecular Weight292.43 g/mol
Exact Mass292.24
IUPAC Name4-N-[2-(1-methylpiperidin-4-yl)ethyl]-6-N-propylpyrimidine-2,4,6-triamine
SMILESCCCNc1cc(NCCC2CCN(C)CC2)nc(N)n1
InChIInChI=1S/C15H28N6/c1-3-7-17-13-11-14(20-15(16)19-13)18-8-4-12-5-9-21(2)10-6-12/h11-12H,3-10H2,1-2H3,(H4,16,17,18,19,20)
InChIKeyFSDWIOFNWIYRBZ-UHFFFAOYSA-N
XLogP2.02
TPSA79.10 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.43
LogP ≤ 52.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

4-N-[2-(1-methylpiperidin-4-yl)ethyl]-2-methylsulfanylpyrimidine-4,6-diamine
CID 114517029
4-N-(2-cyclohexylethyl)-6-N-ethylpyrimidine-2,4,6-triamine
CID 80791193
6-N-propyl-4-N-(4-propylcyclohexyl)pyrimidine-2,4,6-triamine
CID 80782611
4-N-[2-(1-methylpiperidin-4-yl)ethyl]-2-N-propylpyrimidine-2,4-diamine
CID 114516944
4-N-[(1-methylpyrrolidin-2-yl)methyl]-6-N-propylpyrimidine-2,4,6-triamine
CID 106029078
4-N-[(1-methylpiperidin-4-yl)methyl]pyrimidine-2,4,6-triamine
CID 80812495
4-N-[(1-methylpiperidin-4-yl)methyl]-6-N-propylpyrimidine-4,6-diamine
CID 80812575
4-N-[2-(oxolan-2-yl)ethyl]-6-N-propylpyrimidine-2,4,6-triamine
CID 80811963
4-[[[2-amino-6-(propylamino)pyrimidin-4-yl]amino]methyl]cyclohexan-1-ol
CID 106138505
6-chloro-2-N-[2-(1-methylpiperidin-4-yl)ethyl]-1,3,5-triazine-2,4-diamine
CID 114516972
6-N-methyl-4-N-[(1-methylpyrrolidin-3-yl)methyl]pyrimidine-2,4,6-triamine
CID 80791244
6-N-methyl-4-N-propylpyrimidine-2,4,6-triamine
CID 80766256

Frequently Asked Questions

What is the IUPAC name of 4-N-[2-(1-methylpiperidin-4-yl)ethyl]-6-N-propylpyrimidine-2,4,6-triamine?
The IUPAC name of 4-N-[2-(1-methylpiperidin-4-yl)ethyl]-6-N-propylpyrimidine-2,4,6-triamine (CID 114516943) is 4-N-[2-(1-methylpiperidin-4-yl)ethyl]-6-N-propylpyrimidine-2,4,6-triamine.
What is the SMILES notation for 4-N-[2-(1-methylpiperidin-4-yl)ethyl]-6-N-propylpyrimidine-2,4,6-triamine?
The canonical SMILES for 4-N-[2-(1-methylpiperidin-4-yl)ethyl]-6-N-propylpyrimidine-2,4,6-triamine is CCCNc1cc(NCCC2CCN(C)CC2)nc(N)n1.
What is the InChIKey of 4-N-[2-(1-methylpiperidin-4-yl)ethyl]-6-N-propylpyrimidine-2,4,6-triamine?
The InChIKey is FSDWIOFNWIYRBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N6/c1-3-7-17-13-11-14(20-15(16)19-13)18-8-4-12-5-9-21(2)10-6-12/h11-12H,3-10H2,1-2H3,(H4,16,17,18,19,20).
What are the key properties of 4-N-[2-(1-methylpiperidin-4-yl)ethyl]-6-N-propylpyrimidine-2,4,6-triamine?
4-N-[2-(1-methylpiperidin-4-yl)ethyl]-6-N-propylpyrimidine-2,4,6-triamine has a molecular weight of 292.43 g/mol, XLogP of 2.02, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[2-(1-methylpiperidin-4-yl)ethyl]-6-N-propylpyrimidine-2,4,6-triamine is sourced from PubChem (CID 114516943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).