4-[4-(cyclopropylmethyl)piperazin-1-yl]-N-ethyl-6-methoxy-1,3,5-triazin-2-amine

C14H24N6O — CID 80780634

IUPAC4-[4-(cyclopropylmethyl)piperazin-1-yl]-N-ethyl-6-methoxy-1,3,5-triazin-2-amine
SMILESCCNc1nc(OC)nc(N2CCN(CC3CC3)CC2)n1
InChIInChI=1S/C14H24N6O/c1-3-15-12-16-13(18-14(17-12)21-2)20-8-6-19(7-9-20)10-11-4-5-11/h11H,3-10H2,1-2H3,(H,15,16,17,18)
InChIKeyXFBVWCIBFLFPEE-UHFFFAOYSA-N
MW292.39 g/mol
LogP0.84
Rot. Bonds6

About 4-[4-(cyclopropylmethyl)piperazin-1-yl]-N-ethyl-6-methoxy-1,3,5-triazin-2-amine

4-[4-(cyclopropylmethyl)piperazin-1-yl]-N-ethyl-6-methoxy-1,3,5-triazin-2-amine (PubChem CID 80780634) has the molecular formula C14H24N6O and a molecular weight of 292.39 g/mol. Its IUPAC name is 4-[4-(cyclopropylmethyl)piperazin-1-yl]-N-ethyl-6-methoxy-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-[4-(cyclopropylmethyl)piperazin-1-yl]-N-ethyl-6-methoxy-1,3,5-triazin-2-amine
PubChem CID80780634
Molecular FormulaC14H24N6O
Molecular Weight292.39 g/mol
Exact Mass292.20
IUPAC Name4-[4-(cyclopropylmethyl)piperazin-1-yl]-N-ethyl-6-methoxy-1,3,5-triazin-2-amine
SMILESCCNc1nc(OC)nc(N2CCN(CC3CC3)CC2)n1
InChIInChI=1S/C14H24N6O/c1-3-15-12-16-13(18-14(17-12)21-2)20-8-6-19(7-9-20)10-11-4-5-11/h11H,3-10H2,1-2H3,(H,15,16,17,18)
InChIKeyXFBVWCIBFLFPEE-UHFFFAOYSA-N
XLogP0.84
TPSA66.41 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.39
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 4-[4-(cyclopropylmethyl)piperazin-1-yl]-N-ethyl-6-methoxy-1,3,5-triazin-2-amine with MolForge

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Related Compounds

1-[4-[4-(ethylamino)-6-methoxy-1,3,5-triazin-2-yl]piperazin-1-yl]ethanone
CID 80766965
N-ethyl-4-(4-ethyl-3-methylpiperazin-1-yl)-6-methoxy-1,3,5-triazin-2-amine
CID 80833952
4-ethoxy-N-ethyl-6-[4-(methoxymethyl)piperidin-1-yl]-1,3,5-triazin-2-amine
CID 80820012
[1-[4-methoxy-6-(propylamino)-1,3,5-triazin-2-yl]piperidin-4-yl]methanol
CID 80757527
4-ethoxy-N-ethyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine
CID 80767228
2-N-(cyclopentylmethyl)-4-N-ethyl-6-methoxy-1,3,5-triazine-2,4-diamine
CID 80783826
2-N-(cyclopentylmethyl)-4-N-ethyl-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine
CID 80772042
4-[4-(ethylamino)-6-methoxy-1,3,5-triazin-2-yl]piperazine-2,6-dione
CID 80855575
4-[4-(cyclopropylmethyl)piperazin-1-yl]-6-ethoxy-1,3,5-triazin-2-amine
CID 80800018
1-[4-(ethylamino)-6-methoxy-1,3,5-triazin-2-yl]piperidine-3-carboxamide
CID 80757168
4-cyclopentyloxy-N-ethyl-6-piperidin-1-yl-1,3,5-triazin-2-amine
CID 80844670
N-ethyl-4-(2-ethylazepan-1-yl)-6-methoxy-1,3,5-triazin-2-amine
CID 104693031

Frequently Asked Questions

What is the IUPAC name of 4-[4-(cyclopropylmethyl)piperazin-1-yl]-N-ethyl-6-methoxy-1,3,5-triazin-2-amine?
The IUPAC name of 4-[4-(cyclopropylmethyl)piperazin-1-yl]-N-ethyl-6-methoxy-1,3,5-triazin-2-amine (CID 80780634) is 4-[4-(cyclopropylmethyl)piperazin-1-yl]-N-ethyl-6-methoxy-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-[4-(cyclopropylmethyl)piperazin-1-yl]-N-ethyl-6-methoxy-1,3,5-triazin-2-amine?
The canonical SMILES for 4-[4-(cyclopropylmethyl)piperazin-1-yl]-N-ethyl-6-methoxy-1,3,5-triazin-2-amine is CCNc1nc(OC)nc(N2CCN(CC3CC3)CC2)n1.
What is the InChIKey of 4-[4-(cyclopropylmethyl)piperazin-1-yl]-N-ethyl-6-methoxy-1,3,5-triazin-2-amine?
The InChIKey is XFBVWCIBFLFPEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N6O/c1-3-15-12-16-13(18-14(17-12)21-2)20-8-6-19(7-9-20)10-11-4-5-11/h11H,3-10H2,1-2H3,(H,15,16,17,18).
What are the key properties of 4-[4-(cyclopropylmethyl)piperazin-1-yl]-N-ethyl-6-methoxy-1,3,5-triazin-2-amine?
4-[4-(cyclopropylmethyl)piperazin-1-yl]-N-ethyl-6-methoxy-1,3,5-triazin-2-amine has a molecular weight of 292.39 g/mol, XLogP of 0.84, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(cyclopropylmethyl)piperazin-1-yl]-N-ethyl-6-methoxy-1,3,5-triazin-2-amine is sourced from PubChem (CID 80780634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).