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

C14H24N6O — CID 80779052

IUPAC4-[4-(cyclopropylmethyl)piperazin-1-yl]-6-propoxy-1,3,5-triazin-2-amine
SMILESCCCOc1nc(N)nc(N2CCN(CC3CC3)CC2)n1
InChIInChI=1S/C14H24N6O/c1-2-9-21-14-17-12(15)16-13(18-14)20-7-5-19(6-8-20)10-11-3-4-11/h11H,2-10H2,1H3,(H2,15,16,17,18)
InChIKeyICLUSBFPMODXNX-UHFFFAOYSA-N
MW292.39 g/mol
LogP0.77
Rot. Bonds6

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

4-[4-(cyclopropylmethyl)piperazin-1-yl]-6-propoxy-1,3,5-triazin-2-amine (PubChem CID 80779052) has the molecular formula C14H24N6O and a molecular weight of 292.39 g/mol. Its IUPAC name is 4-[4-(cyclopropylmethyl)piperazin-1-yl]-6-propoxy-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-[4-(cyclopropylmethyl)piperazin-1-yl]-6-propoxy-1,3,5-triazin-2-amine
PubChem CID80779052
Molecular FormulaC14H24N6O
Molecular Weight292.39 g/mol
Exact Mass292.20
IUPAC Name4-[4-(cyclopropylmethyl)piperazin-1-yl]-6-propoxy-1,3,5-triazin-2-amine
SMILESCCCOc1nc(N)nc(N2CCN(CC3CC3)CC2)n1
InChIInChI=1S/C14H24N6O/c1-2-9-21-14-17-12(15)16-13(18-14)20-7-5-19(6-8-20)10-11-3-4-11/h11H,2-10H2,1H3,(H2,15,16,17,18)
InChIKeyICLUSBFPMODXNX-UHFFFAOYSA-N
XLogP0.77
TPSA80.40 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 ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4-[4-(cyclopropylmethyl)piperazin-1-yl]-6-ethoxy-1,3,5-triazin-2-amine
CID 80800018
2-[4-(4-amino-6-propoxy-1,3,5-triazin-2-yl)piperazin-1-yl]ethanol
CID 80778474
1-(4-amino-6-propoxy-1,3,5-triazin-2-yl)-4-methylpiperidin-4-ol
CID 81108978
4-(2-methylpyrrolidin-1-yl)-6-propoxy-1,3,5-triazin-2-amine
CID 80791929
4-(2-butoxyethoxy)-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine
CID 80861399
4-(cyclohexylmethoxy)-6-piperidin-1-yl-1,3,5-triazin-2-amine
CID 80880804
4-hexoxy-6-morpholin-4-yl-1,3,5-triazin-2-amine
CID 80862100
4-ethoxy-6-(4-propan-2-ylazepan-1-yl)-1,3,5-triazin-2-amine
CID 80837736
4-(4,4-dimethylazepan-1-yl)-6-ethoxy-1,3,5-triazin-2-amine
CID 80842750
2-N-[(4-methylcyclohexyl)methyl]-6-propoxy-1,3,5-triazine-2,4-diamine
CID 80827677
2-N-[(4-ethylcyclohexyl)methyl]-6-propoxy-1,3,5-triazine-2,4-diamine
CID 80792133
4-[4-(cyclopropylmethyl)piperazin-1-yl]-N-ethyl-6-methoxy-1,3,5-triazin-2-amine
CID 80780634

Frequently Asked Questions

What is the IUPAC name of 4-[4-(cyclopropylmethyl)piperazin-1-yl]-6-propoxy-1,3,5-triazin-2-amine?
The IUPAC name of 4-[4-(cyclopropylmethyl)piperazin-1-yl]-6-propoxy-1,3,5-triazin-2-amine (CID 80779052) is 4-[4-(cyclopropylmethyl)piperazin-1-yl]-6-propoxy-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-[4-(cyclopropylmethyl)piperazin-1-yl]-6-propoxy-1,3,5-triazin-2-amine?
The canonical SMILES for 4-[4-(cyclopropylmethyl)piperazin-1-yl]-6-propoxy-1,3,5-triazin-2-amine is CCCOc1nc(N)nc(N2CCN(CC3CC3)CC2)n1.
What is the InChIKey of 4-[4-(cyclopropylmethyl)piperazin-1-yl]-6-propoxy-1,3,5-triazin-2-amine?
The InChIKey is ICLUSBFPMODXNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N6O/c1-2-9-21-14-17-12(15)16-13(18-14)20-7-5-19(6-8-20)10-11-3-4-11/h11H,2-10H2,1H3,(H2,15,16,17,18).
What are the key properties of 4-[4-(cyclopropylmethyl)piperazin-1-yl]-6-propoxy-1,3,5-triazin-2-amine?
4-[4-(cyclopropylmethyl)piperazin-1-yl]-6-propoxy-1,3,5-triazin-2-amine has a molecular weight of 292.39 g/mol, XLogP of 0.77, 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]-6-propoxy-1,3,5-triazin-2-amine is sourced from PubChem (CID 80779052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).