N-[(4,6-dimethyl-3-pyridinyl)methyl]-2-methyl-9-propan-2-ylpurin-6-amine

C17H22N6 — CID 163663761

IUPACN-[(4,6-dimethyl-3-pyridinyl)methyl]-2-methyl-9-propan-2-ylpurin-6-amine
SMILESCc1cc(C)c(CNc2nc(C)nc3c2ncn3C(C)C)cn1
InChIInChI=1S/C17H22N6/c1-10(2)23-9-20-15-16(21-13(5)22-17(15)23)19-8-14-7-18-12(4)6-11(14)3/h6-7,9-10H,8H2,1-5H3,(H,19,21,22)
InChIKeyIWOYYCDJEKCAGD-UHFFFAOYSA-N
MW310.41 g/mol
LogP3.34
Rot. Bonds4

About N-[(4,6-dimethyl-3-pyridinyl)methyl]-2-methyl-9-propan-2-ylpurin-6-amine

N-[(4,6-dimethyl-3-pyridinyl)methyl]-2-methyl-9-propan-2-ylpurin-6-amine (PubChem CID 163663761) has the molecular formula C17H22N6 and a molecular weight of 310.41 g/mol. Its IUPAC name is N-[(4,6-dimethyl-3-pyridinyl)methyl]-2-methyl-9-propan-2-ylpurin-6-amine.

Molecular Properties

Compound NameN-[(4,6-dimethyl-3-pyridinyl)methyl]-2-methyl-9-propan-2-ylpurin-6-amine
PubChem CID163663761
Molecular FormulaC17H22N6
Molecular Weight310.41 g/mol
Exact Mass310.19
IUPAC NameN-[(4,6-dimethyl-3-pyridinyl)methyl]-2-methyl-9-propan-2-ylpurin-6-amine
SMILESCc1cc(C)c(CNc2nc(C)nc3c2ncn3C(C)C)cn1
InChIInChI=1S/C17H22N6/c1-10(2)23-9-20-15-16(21-13(5)22-17(15)23)19-8-14-7-18-12(4)6-11(14)3/h6-7,9-10H,8H2,1-5H3,(H,19,21,22)
InChIKeyIWOYYCDJEKCAGD-UHFFFAOYSA-N
XLogP3.34
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.41
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(4,6-dimethyl-3-pyridinyl)methyl]-2-methyl-9-propan-2-ylpurin-6-amine?
The IUPAC name of N-[(4,6-dimethyl-3-pyridinyl)methyl]-2-methyl-9-propan-2-ylpurin-6-amine (CID 163663761) is N-[(4,6-dimethyl-3-pyridinyl)methyl]-2-methyl-9-propan-2-ylpurin-6-amine.
What is the SMILES notation for N-[(4,6-dimethyl-3-pyridinyl)methyl]-2-methyl-9-propan-2-ylpurin-6-amine?
The canonical SMILES for N-[(4,6-dimethyl-3-pyridinyl)methyl]-2-methyl-9-propan-2-ylpurin-6-amine is Cc1cc(C)c(CNc2nc(C)nc3c2ncn3C(C)C)cn1.
What is the InChIKey of N-[(4,6-dimethyl-3-pyridinyl)methyl]-2-methyl-9-propan-2-ylpurin-6-amine?
The InChIKey is IWOYYCDJEKCAGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N6/c1-10(2)23-9-20-15-16(21-13(5)22-17(15)23)19-8-14-7-18-12(4)6-11(14)3/h6-7,9-10H,8H2,1-5H3,(H,19,21,22).
What are the key properties of N-[(4,6-dimethyl-3-pyridinyl)methyl]-2-methyl-9-propan-2-ylpurin-6-amine?
N-[(4,6-dimethyl-3-pyridinyl)methyl]-2-methyl-9-propan-2-ylpurin-6-amine has a molecular weight of 310.41 g/mol, XLogP of 3.34, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4,6-dimethyl-3-pyridinyl)methyl]-2-methyl-9-propan-2-ylpurin-6-amine is sourced from PubChem (CID 163663761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).