6-chloro-9-[(4,5,6-trimethyl-3-pyridinyl)methyl]purin-2-amine

C14H15ClN6 — CID 89371902

IUPAC6-chloro-9-[(4,5,6-trimethyl-3-pyridinyl)methyl]purin-2-amine
SMILESCc1ncc(Cn2cnc3c(Cl)nc(N)nc32)c(C)c1C
InChIInChI=1S/C14H15ClN6/c1-7-8(2)10(4-17-9(7)3)5-21-6-18-11-12(15)19-14(16)20-13(11)21/h4,6H,5H2,1-3H3,(H2,16,19,20)
InChIKeyGOUKWBOWIZLWOR-UHFFFAOYSA-N
MW302.77 g/mol
LogP2.43
Rot. Bonds2

About 6-chloro-9-[(4,5,6-trimethyl-3-pyridinyl)methyl]purin-2-amine

6-chloro-9-[(4,5,6-trimethyl-3-pyridinyl)methyl]purin-2-amine (PubChem CID 89371902) has the molecular formula C14H15ClN6 and a molecular weight of 302.77 g/mol. Its IUPAC name is 6-chloro-9-[(4,5,6-trimethyl-3-pyridinyl)methyl]purin-2-amine.

Molecular Properties

Compound Name6-chloro-9-[(4,5,6-trimethyl-3-pyridinyl)methyl]purin-2-amine
PubChem CID89371902
Molecular FormulaC14H15ClN6
Molecular Weight302.77 g/mol
Exact Mass302.10
IUPAC Name6-chloro-9-[(4,5,6-trimethyl-3-pyridinyl)methyl]purin-2-amine
SMILESCc1ncc(Cn2cnc3c(Cl)nc(N)nc32)c(C)c1C
InChIInChI=1S/C14H15ClN6/c1-7-8(2)10(4-17-9(7)3)5-21-6-18-11-12(15)19-14(16)20-13(11)21/h4,6H,5H2,1-3H3,(H2,16,19,20)
InChIKeyGOUKWBOWIZLWOR-UHFFFAOYSA-N
XLogP2.43
TPSA82.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.77
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 6-chloro-9-[(4,5,6-trimethyl-3-pyridinyl)methyl]purin-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

6-chloro-9-[(3,5-dimethoxy-2,4-dimethylphenyl)methyl]purin-2-amine
CID 143429732
6-chloro-9-[(3,5-dimethoxy-2,4-dimethylphenyl)methyl]purin-2-amine;ethane
CID 143429731
6-bromo-9-[(5-methoxy-4,6-dimethyl-3-pyridinyl)methyl]purin-2-amine;methanol
CID 143429711
6-chloro-9-[(5-chloro-2,1,3-benzothiadiazol-6-yl)methyl]purin-2-amine
CID 87520351
6-chloro-9-pentylpurin-2-amine
CID 139201177
6-chloro-9-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]purin-2-amine;methanesulfonic acid
CID 56843312
6-chloro-9-[(4-methoxy-3,5-dimethyl-1-oxidopyridin-1-ium-2-yl)methyl]purin-2-amine
CID 16736528
6-chloro-9-(4-chlorobut-2-ynyl)purin-2-amine
CID 14408836
2-[(2-amino-6-chloropurin-9-yl)methyl]-5-methyl-3-(2-methylphenyl)quinazolin-4-one
CID 10181189
6-chloro-9-pent-4-ynylpurin-2-amine
CID 125495382
6-chloro-9-[(3-ethyl-2,2-difluorocyclopropyl)methyl]purin-2-amine
CID 174675846
6-chloro-9-ethenylpurin-2-amine
CID 15374495

Frequently Asked Questions

What is the IUPAC name of 6-chloro-9-[(4,5,6-trimethyl-3-pyridinyl)methyl]purin-2-amine?
The IUPAC name of 6-chloro-9-[(4,5,6-trimethyl-3-pyridinyl)methyl]purin-2-amine (CID 89371902) is 6-chloro-9-[(4,5,6-trimethyl-3-pyridinyl)methyl]purin-2-amine.
What is the SMILES notation for 6-chloro-9-[(4,5,6-trimethyl-3-pyridinyl)methyl]purin-2-amine?
The canonical SMILES for 6-chloro-9-[(4,5,6-trimethyl-3-pyridinyl)methyl]purin-2-amine is Cc1ncc(Cn2cnc3c(Cl)nc(N)nc32)c(C)c1C.
What is the InChIKey of 6-chloro-9-[(4,5,6-trimethyl-3-pyridinyl)methyl]purin-2-amine?
The InChIKey is GOUKWBOWIZLWOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN6/c1-7-8(2)10(4-17-9(7)3)5-21-6-18-11-12(15)19-14(16)20-13(11)21/h4,6H,5H2,1-3H3,(H2,16,19,20).
What are the key properties of 6-chloro-9-[(4,5,6-trimethyl-3-pyridinyl)methyl]purin-2-amine?
6-chloro-9-[(4,5,6-trimethyl-3-pyridinyl)methyl]purin-2-amine has a molecular weight of 302.77 g/mol, XLogP of 2.43, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-9-[(4,5,6-trimethyl-3-pyridinyl)methyl]purin-2-amine is sourced from PubChem (CID 89371902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).