2-N-[(1-ethylpyrrolidin-2-yl)methyl]-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine

C14H25N7 — CID 80773177

IUPAC2-N-[(1-ethylpyrrolidin-2-yl)methyl]-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine
SMILESCCN1CCCC1CNc1nc(N)nc(N2CCCC2)n1
InChIInChI=1S/C14H25N7/c1-2-20-9-5-6-11(20)10-16-13-17-12(15)18-14(19-13)21-7-3-4-8-21/h11H,2-10H2,1H3,(H3,15,16,17,18,19)
InChIKeyJDDIFWBSOJPOOG-UHFFFAOYSA-N
MW291.40 g/mol
LogP0.95
Rot. Bonds5

About 2-N-[(1-ethylpyrrolidin-2-yl)methyl]-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine

2-N-[(1-ethylpyrrolidin-2-yl)methyl]-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine (PubChem CID 80773177) has the molecular formula C14H25N7 and a molecular weight of 291.40 g/mol. Its IUPAC name is 2-N-[(1-ethylpyrrolidin-2-yl)methyl]-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N-[(1-ethylpyrrolidin-2-yl)methyl]-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine
PubChem CID80773177
Molecular FormulaC14H25N7
Molecular Weight291.40 g/mol
Exact Mass291.22
IUPAC Name2-N-[(1-ethylpyrrolidin-2-yl)methyl]-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine
SMILESCCN1CCCC1CNc1nc(N)nc(N2CCCC2)n1
InChIInChI=1S/C14H25N7/c1-2-20-9-5-6-11(20)10-16-13-17-12(15)18-14(19-13)21-7-3-4-8-21/h11H,2-10H2,1H3,(H3,15,16,17,18,19)
InChIKeyJDDIFWBSOJPOOG-UHFFFAOYSA-N
XLogP0.95
TPSA83.20 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.40
LogP ≤ 50.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-N-[(1-ethylpyrrolidin-2-yl)methyl]-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine with MolForge

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Related Compounds

4-N-[(1-ethylpyrrolidin-2-yl)methyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4,6-triamine
CID 80776862
2-N-ethyl-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine
CID 80770376
2-N-[(1-ethylpyrrolidin-2-yl)methyl]pyrimidine-2,5-diamine
CID 61146431
2-N-(2-methylpropyl)-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine
CID 80769665
2-N-[(1-ethylpiperidin-2-yl)methyl]pyrimidine-2,4-diamine
CID 131930538
2-N-[(1,1-dioxothiolan-2-yl)methyl]-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine
CID 81042418
4-(2-ethylpyrrolidin-1-yl)-6-piperidin-1-yl-1,3,5-triazin-2-amine
CID 80798778
2-N-[4-[(4-amino-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)amino]butyl]-1,3,5-triazine-2,4,6-triamine
CID 139460803
2-N-[(1,1-dioxothiolan-3-yl)methyl]-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine
CID 80796824
4-N-[(1-ethylpiperidin-2-yl)methyl]-6-methoxypyrimidine-2,4-diamine
CID 134708598
2-N-[(1-methylpyrrolidin-2-yl)methyl]-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine
CID 106029137
2-N-[2-(dimethylamino)propyl]-6-piperidin-1-yl-1,3,5-triazine-2,4-diamine
CID 80819399

Frequently Asked Questions

What is the IUPAC name of 2-N-[(1-ethylpyrrolidin-2-yl)methyl]-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N-[(1-ethylpyrrolidin-2-yl)methyl]-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine (CID 80773177) is 2-N-[(1-ethylpyrrolidin-2-yl)methyl]-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N-[(1-ethylpyrrolidin-2-yl)methyl]-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N-[(1-ethylpyrrolidin-2-yl)methyl]-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine is CCN1CCCC1CNc1nc(N)nc(N2CCCC2)n1.
What is the InChIKey of 2-N-[(1-ethylpyrrolidin-2-yl)methyl]-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine?
The InChIKey is JDDIFWBSOJPOOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N7/c1-2-20-9-5-6-11(20)10-16-13-17-12(15)18-14(19-13)21-7-3-4-8-21/h11H,2-10H2,1H3,(H3,15,16,17,18,19).
What are the key properties of 2-N-[(1-ethylpyrrolidin-2-yl)methyl]-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine?
2-N-[(1-ethylpyrrolidin-2-yl)methyl]-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine has a molecular weight of 291.40 g/mol, XLogP of 0.95, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[(1-ethylpyrrolidin-2-yl)methyl]-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 80773177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).