4-chloro-6-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-N-propyl-1,3,5-triazin-2-amine

C14H23ClN6 — CID 80835290

IUPAC4-chloro-6-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-N-propyl-1,3,5-triazin-2-amine
SMILESCCCNc1nc(Cl)nc(N2CCC3CCC(C2)N3C)n1
InChIInChI=1S/C14H23ClN6/c1-3-7-16-13-17-12(15)18-14(19-13)21-8-6-10-4-5-11(9-21)20(10)2/h10-11H,3-9H2,1-2H3,(H,16,17,18,19)
InChIKeyCIKCXYKSLKIHFR-UHFFFAOYSA-N
MW310.83 g/mol
LogP2.02
Rot. Bonds4

About 4-chloro-6-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-N-propyl-1,3,5-triazin-2-amine

4-chloro-6-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-N-propyl-1,3,5-triazin-2-amine (PubChem CID 80835290) has the molecular formula C14H23ClN6 and a molecular weight of 310.83 g/mol. Its IUPAC name is 4-chloro-6-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-N-propyl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-chloro-6-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-N-propyl-1,3,5-triazin-2-amine
PubChem CID80835290
Molecular FormulaC14H23ClN6
Molecular Weight310.83 g/mol
Exact Mass310.17
IUPAC Name4-chloro-6-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-N-propyl-1,3,5-triazin-2-amine
SMILESCCCNc1nc(Cl)nc(N2CCC3CCC(C2)N3C)n1
InChIInChI=1S/C14H23ClN6/c1-3-7-16-13-17-12(15)18-14(19-13)21-8-6-10-4-5-11(9-21)20(10)2/h10-11H,3-9H2,1-2H3,(H,16,17,18,19)
InChIKeyCIKCXYKSLKIHFR-UHFFFAOYSA-N
XLogP2.02
TPSA57.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.83
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-chloro-6-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-N-propyl-1,3,5-triazin-2-amine 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

2-[1-[4-chloro-6-(propylamino)-1,3,5-triazin-2-yl]piperidin-4-yl]acetamide
CID 80784909
1-[4-chloro-6-(propylamino)-1,3,5-triazin-2-yl]-N-methylpiperidine-4-carboxamide
CID 80779384
2-[1-[4-chloro-6-(propylamino)-1,3,5-triazin-2-yl]piperidin-4-yl]oxyethanol
CID 82689356
5-methyl-4-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-N-propylpyrimidin-2-amine
CID 80836484
4-chloro-N-ethyl-6-(4-propan-2-ylpiperidin-1-yl)-1,3,5-triazin-2-amine
CID 103504632
4-chloro-6-(2-ethylpyrrolidin-1-yl)-N-propyl-1,3,5-triazin-2-amine
CID 80797987
2-[[4-chloro-6-(4-methylpiperidin-1-yl)-1,3,5-triazin-2-yl]amino]ethanol
CID 544488
4-chloro-6-(2,3-dimethylpiperidin-1-yl)-N-propyl-1,3,5-triazin-2-amine
CID 80821649
4-chloro-6-(2,4-dimethylpiperidin-1-yl)-N-propyl-1,3,5-triazin-2-amine
CID 80827346
4-chloro-6-(3,3-dimethylpiperidin-1-yl)-N-propyl-1,3,5-triazin-2-amine
CID 80835002
4-chloro-N-ethyl-6-(4-ethylpiperidin-1-yl)-1,3,5-triazin-2-amine
CID 80796310
2-N,4-N,4-N-trimethyl-6-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-1,3,5-triazine-2,4-diamine
CID 80835288

Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-N-propyl-1,3,5-triazin-2-amine?
The IUPAC name of 4-chloro-6-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-N-propyl-1,3,5-triazin-2-amine (CID 80835290) is 4-chloro-6-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-N-propyl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-chloro-6-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-N-propyl-1,3,5-triazin-2-amine?
The canonical SMILES for 4-chloro-6-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-N-propyl-1,3,5-triazin-2-amine is CCCNc1nc(Cl)nc(N2CCC3CCC(C2)N3C)n1.
What is the InChIKey of 4-chloro-6-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-N-propyl-1,3,5-triazin-2-amine?
The InChIKey is CIKCXYKSLKIHFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23ClN6/c1-3-7-16-13-17-12(15)18-14(19-13)21-8-6-10-4-5-11(9-21)20(10)2/h10-11H,3-9H2,1-2H3,(H,16,17,18,19).
What are the key properties of 4-chloro-6-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-N-propyl-1,3,5-triazin-2-amine?
4-chloro-6-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-N-propyl-1,3,5-triazin-2-amine has a molecular weight of 310.83 g/mol, XLogP of 2.02, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-N-propyl-1,3,5-triazin-2-amine is sourced from PubChem (CID 80835290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).