4-N,4-N-diethyl-6-(2-methylpyrrolidin-1-yl)-2-N-propyl-1,3,5-triazine-2,4-diamine

C15H28N6 — CID 80774325

IUPAC4-N,4-N-diethyl-6-(2-methylpyrrolidin-1-yl)-2-N-propyl-1,3,5-triazine-2,4-diamine
SMILESCCCNc1nc(N(CC)CC)nc(N2CCCC2C)n1
InChIInChI=1S/C15H28N6/c1-5-10-16-13-17-14(20(6-2)7-3)19-15(18-13)21-11-8-9-12(21)4/h12H,5-11H2,1-4H3,(H,16,17,18,19)
InChIKeyBFYYOVGPPPFPHV-UHFFFAOYSA-N
MW292.43 g/mol
LogP2.53
Rot. Bonds7

About 4-N,4-N-diethyl-6-(2-methylpyrrolidin-1-yl)-2-N-propyl-1,3,5-triazine-2,4-diamine

4-N,4-N-diethyl-6-(2-methylpyrrolidin-1-yl)-2-N-propyl-1,3,5-triazine-2,4-diamine (PubChem CID 80774325) has the molecular formula C15H28N6 and a molecular weight of 292.43 g/mol. Its IUPAC name is 4-N,4-N-diethyl-6-(2-methylpyrrolidin-1-yl)-2-N-propyl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name4-N,4-N-diethyl-6-(2-methylpyrrolidin-1-yl)-2-N-propyl-1,3,5-triazine-2,4-diamine
PubChem CID80774325
Molecular FormulaC15H28N6
Molecular Weight292.43 g/mol
Exact Mass292.24
IUPAC Name4-N,4-N-diethyl-6-(2-methylpyrrolidin-1-yl)-2-N-propyl-1,3,5-triazine-2,4-diamine
SMILESCCCNc1nc(N(CC)CC)nc(N2CCCC2C)n1
InChIInChI=1S/C15H28N6/c1-5-10-16-13-17-14(20(6-2)7-3)19-15(18-13)21-11-8-9-12(21)4/h12H,5-11H2,1-4H3,(H,16,17,18,19)
InChIKeyBFYYOVGPPPFPHV-UHFFFAOYSA-N
XLogP2.53
TPSA57.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.43
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-N,4-N,4-N-triethyl-6-(2-ethylpyrrolidin-1-yl)-1,3,5-triazine-2,4-diamine
CID 80775342
4-N,4-N-dimethyl-6-(3-methylthiomorpholin-4-yl)-2-N-propyl-1,3,5-triazine-2,4-diamine
CID 80835693
2-N,2-N-diethyl-4-N-propyl-1,3,5-triazine-2,4,6-triamine
CID 80765267
4-chloro-6-(2,3-dimethylpiperidin-1-yl)-N-propyl-1,3,5-triazin-2-amine
CID 80821649
4-N,4-N-diethyl-6-(2-ethylpiperidin-1-yl)-2-N-methyl-1,3,5-triazine-2,4-diamine
CID 80773407
4-N,4-N-diethyl-2-N-propyl-6-(4-pyridin-2-ylpiperazin-1-yl)-1,3,5-triazine-2,4-diamine
CID 117089217
4-chloro-6-(2-ethylpyrrolidin-1-yl)-N-propyl-1,3,5-triazin-2-amine
CID 80797987
4-(2-methylazepan-1-yl)-N-propylpyrimidin-2-amine
CID 80835435
4-N,4-N-diethyl-6-(4-methylpyrazol-1-yl)-2-N-propyl-1,3,5-triazine-2,4-diamine
CID 80840806
4-chloro-6-(2,4-dimethylpiperidin-1-yl)-N-propyl-1,3,5-triazin-2-amine
CID 80827346
N-ethyl-4-(2-methylpyrrolidin-1-yl)-6-propan-2-yloxy-1,3,5-triazin-2-amine
CID 80790959
4-N-ethyl-4-N-propan-2-yl-2-N-propyl-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine
CID 80772192

Frequently Asked Questions

What is the IUPAC name of 4-N,4-N-diethyl-6-(2-methylpyrrolidin-1-yl)-2-N-propyl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 4-N,4-N-diethyl-6-(2-methylpyrrolidin-1-yl)-2-N-propyl-1,3,5-triazine-2,4-diamine (CID 80774325) is 4-N,4-N-diethyl-6-(2-methylpyrrolidin-1-yl)-2-N-propyl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 4-N,4-N-diethyl-6-(2-methylpyrrolidin-1-yl)-2-N-propyl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 4-N,4-N-diethyl-6-(2-methylpyrrolidin-1-yl)-2-N-propyl-1,3,5-triazine-2,4-diamine is CCCNc1nc(N(CC)CC)nc(N2CCCC2C)n1.
What is the InChIKey of 4-N,4-N-diethyl-6-(2-methylpyrrolidin-1-yl)-2-N-propyl-1,3,5-triazine-2,4-diamine?
The InChIKey is BFYYOVGPPPFPHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N6/c1-5-10-16-13-17-14(20(6-2)7-3)19-15(18-13)21-11-8-9-12(21)4/h12H,5-11H2,1-4H3,(H,16,17,18,19).
What are the key properties of 4-N,4-N-diethyl-6-(2-methylpyrrolidin-1-yl)-2-N-propyl-1,3,5-triazine-2,4-diamine?
4-N,4-N-diethyl-6-(2-methylpyrrolidin-1-yl)-2-N-propyl-1,3,5-triazine-2,4-diamine has a molecular weight of 292.43 g/mol, XLogP of 2.53, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N,4-N-diethyl-6-(2-methylpyrrolidin-1-yl)-2-N-propyl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 80774325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).