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

C14H25ClN6 — CID 62862665

IUPAC6-chloro-2-N,2-N-diethyl-4-N-[(1-ethylpyrrolidin-3-yl)methyl]-1,3,5-triazine-2,4-diamine
SMILESCCN1CCC(CNc2nc(Cl)nc(N(CC)CC)n2)C1
InChIInChI=1S/C14H25ClN6/c1-4-20-8-7-11(10-20)9-16-13-17-12(15)18-14(19-13)21(5-2)6-3/h11H,4-10H2,1-3H3,(H,16,17,18,19)
InChIKeyWHYLRMJUINYDHH-UHFFFAOYSA-N
MW312.85 g/mol
LogP2.12
Rot. Bonds7

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

6-chloro-2-N,2-N-diethyl-4-N-[(1-ethylpyrrolidin-3-yl)methyl]-1,3,5-triazine-2,4-diamine (PubChem CID 62862665) has the molecular formula C14H25ClN6 and a molecular weight of 312.85 g/mol. Its IUPAC name is 6-chloro-2-N,2-N-diethyl-4-N-[(1-ethylpyrrolidin-3-yl)methyl]-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-chloro-2-N,2-N-diethyl-4-N-[(1-ethylpyrrolidin-3-yl)methyl]-1,3,5-triazine-2,4-diamine
PubChem CID62862665
Molecular FormulaC14H25ClN6
Molecular Weight312.85 g/mol
Exact Mass312.18
IUPAC Name6-chloro-2-N,2-N-diethyl-4-N-[(1-ethylpyrrolidin-3-yl)methyl]-1,3,5-triazine-2,4-diamine
SMILESCCN1CCC(CNc2nc(Cl)nc(N(CC)CC)n2)C1
InChIInChI=1S/C14H25ClN6/c1-4-20-8-7-11(10-20)9-16-13-17-12(15)18-14(19-13)21(5-2)6-3/h11H,4-10H2,1-3H3,(H,16,17,18,19)
InChIKeyWHYLRMJUINYDHH-UHFFFAOYSA-N
XLogP2.12
TPSA57.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.85
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-chloro-4-N-[(1-ethylpyrrolidin-3-yl)methyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine
CID 62865283
6-chloro-4-N-[(1-ethylpiperidin-4-yl)methyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine
CID 62865016
4-chloro-N-[(1-ethylpyrrolidin-3-yl)methyl]-6-propoxy-1,3,5-triazin-2-amine
CID 62865100
6-chloro-2-N-[(1-ethylpiperidin-4-yl)methyl]-4-N-methyl-1,3,5-triazine-2,4-diamine
CID 80811735
4-chloro-N-[(1-ethylpiperidin-4-yl)methyl]-6-propan-2-yloxy-1,3,5-triazin-2-amine
CID 62865015
6-chloro-2-N,2-N-diethyl-4-N-(thian-2-ylmethyl)-1,3,5-triazine-2,4-diamine
CID 80612589
6-chloro-4-N-(2-chloroethyl)-2-N,2-N-diethyl-1,3,5-triazine-2,4-diamine
CID 27378828
N-[(1-ethylpyrrolidin-3-yl)methyl]-5-methoxypyrimidin-2-amine
CID 114600387
6-chloro-4-N-[2-(dimethylamino)-2-methylpropyl]-2-N,2-N-diethyl-1,3,5-triazine-2,4-diamine
CID 62864491
6-chloro-2-N,2-N-bis(cyclopropylmethyl)-4-N-ethyl-1,3,5-triazine-2,4-diamine
CID 80834947
6-chloro-2-N-[(1-methylpyrrolidin-3-yl)methyl]-1,3,5-triazine-2,4-diamine
CID 80790390
4-chloro-N-[(1-ethylpyrrolidin-3-yl)methyl]-1,3-thiazol-2-amine
CID 83153002

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-N,2-N-diethyl-4-N-[(1-ethylpyrrolidin-3-yl)methyl]-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-chloro-2-N,2-N-diethyl-4-N-[(1-ethylpyrrolidin-3-yl)methyl]-1,3,5-triazine-2,4-diamine (CID 62862665) is 6-chloro-2-N,2-N-diethyl-4-N-[(1-ethylpyrrolidin-3-yl)methyl]-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-chloro-2-N,2-N-diethyl-4-N-[(1-ethylpyrrolidin-3-yl)methyl]-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-chloro-2-N,2-N-diethyl-4-N-[(1-ethylpyrrolidin-3-yl)methyl]-1,3,5-triazine-2,4-diamine is CCN1CCC(CNc2nc(Cl)nc(N(CC)CC)n2)C1.
What is the InChIKey of 6-chloro-2-N,2-N-diethyl-4-N-[(1-ethylpyrrolidin-3-yl)methyl]-1,3,5-triazine-2,4-diamine?
The InChIKey is WHYLRMJUINYDHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25ClN6/c1-4-20-8-7-11(10-20)9-16-13-17-12(15)18-14(19-13)21(5-2)6-3/h11H,4-10H2,1-3H3,(H,16,17,18,19).
What are the key properties of 6-chloro-2-N,2-N-diethyl-4-N-[(1-ethylpyrrolidin-3-yl)methyl]-1,3,5-triazine-2,4-diamine?
6-chloro-2-N,2-N-diethyl-4-N-[(1-ethylpyrrolidin-3-yl)methyl]-1,3,5-triazine-2,4-diamine has a molecular weight of 312.85 g/mol, XLogP of 2.12, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-N,2-N-diethyl-4-N-[(1-ethylpyrrolidin-3-yl)methyl]-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 62862665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).