9-phenyl-6-N-propyl-2-N-pyrimidin-2-ylpurine-2,6-diamine

C18H18N8 — CID 117080414

IUPAC9-phenyl-6-N-propyl-2-N-pyrimidin-2-ylpurine-2,6-diamine
SMILESCCCNc1nc(Nc2ncccn2)nc2c1ncn2-c1ccccc1
InChIInChI=1S/C18H18N8/c1-2-9-19-15-14-16(26(12-22-14)13-7-4-3-5-8-13)24-18(23-15)25-17-20-10-6-11-21-17/h3-8,10-12H,2,9H2,1H3,(H2,19,20,21,23,24,25)
InChIKeySFAUSGHNVXXSGA-UHFFFAOYSA-N
MW346.40 g/mol
LogP3.17
Rot. Bonds6

About 9-phenyl-6-N-propyl-2-N-pyrimidin-2-ylpurine-2,6-diamine

9-phenyl-6-N-propyl-2-N-pyrimidin-2-ylpurine-2,6-diamine (PubChem CID 117080414) has the molecular formula C18H18N8 and a molecular weight of 346.40 g/mol. Its IUPAC name is 9-phenyl-6-N-propyl-2-N-pyrimidin-2-ylpurine-2,6-diamine.

Molecular Properties

Compound Name9-phenyl-6-N-propyl-2-N-pyrimidin-2-ylpurine-2,6-diamine
PubChem CID117080414
Molecular FormulaC18H18N8
Molecular Weight346.40 g/mol
Exact Mass346.17
IUPAC Name9-phenyl-6-N-propyl-2-N-pyrimidin-2-ylpurine-2,6-diamine
SMILESCCCNc1nc(Nc2ncccn2)nc2c1ncn2-c1ccccc1
InChIInChI=1S/C18H18N8/c1-2-9-19-15-14-16(26(12-22-14)13-7-4-3-5-8-13)24-18(23-15)25-17-20-10-6-11-21-17/h3-8,10-12H,2,9H2,1H3,(H2,19,20,21,23,24,25)
InChIKeySFAUSGHNVXXSGA-UHFFFAOYSA-N
XLogP3.17
TPSA93.44 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.40
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

9-phenyl-6-N-(pyridin-3-ylmethyl)-2-N-pyrimidin-2-ylpurine-2,6-diamine
CID 117080067
6-N-cyclopropyl-9-phenyl-2-N-pyrimidin-2-ylpurine-2,6-diamine
CID 117078892
2-N-(1-benzylpiperidin-4-yl)-9-phenyl-6-N-propylpurine-2,6-diamine
CID 117079494
6-N-benzyl-2-N-ethyl-9-phenylpurine-2,6-diamine
CID 117091533
6-N-[2-[di(propan-2-yl)amino]ethyl]-2-N-ethyl-9-phenylpurine-2,6-diamine
CID 117091747
2-N-(1-methylbenzimidazol-2-yl)-6-N-(2-phenoxyethyl)-9-phenylpurine-2,6-diamine
CID 117085459
6-N-benzyl-9-phenyl-2-N-pyridin-3-ylpurine-2,6-diamine
CID 117083688
6-N-(2-phenoxyethyl)-9-phenyl-2-N-[4-(trifluoromethyl)phenyl]purine-2,6-diamine
CID 117088420
4-[2-[[9-phenyl-2-(pyrimidin-4-ylamino)purin-6-yl]amino]ethyl]phenol
CID 117086418
6-N-(2-phenoxyethyl)-2-N-pyridin-2-yl-9-thiophen-3-ylpurine-2,6-diamine
CID 117093044
2-N-(4-morpholin-4-ylphenyl)-6-N-(2-phenoxyethyl)-9-phenylpurine-2,6-diamine
CID 117089790
2-N-(1-benzylpiperidin-4-yl)-6-N-propyl-9-thiophen-3-ylpurine-2,6-diamine
CID 117079496

Frequently Asked Questions

What is the IUPAC name of 9-phenyl-6-N-propyl-2-N-pyrimidin-2-ylpurine-2,6-diamine?
The IUPAC name of 9-phenyl-6-N-propyl-2-N-pyrimidin-2-ylpurine-2,6-diamine (CID 117080414) is 9-phenyl-6-N-propyl-2-N-pyrimidin-2-ylpurine-2,6-diamine.
What is the SMILES notation for 9-phenyl-6-N-propyl-2-N-pyrimidin-2-ylpurine-2,6-diamine?
The canonical SMILES for 9-phenyl-6-N-propyl-2-N-pyrimidin-2-ylpurine-2,6-diamine is CCCNc1nc(Nc2ncccn2)nc2c1ncn2-c1ccccc1.
What is the InChIKey of 9-phenyl-6-N-propyl-2-N-pyrimidin-2-ylpurine-2,6-diamine?
The InChIKey is SFAUSGHNVXXSGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N8/c1-2-9-19-15-14-16(26(12-22-14)13-7-4-3-5-8-13)24-18(23-15)25-17-20-10-6-11-21-17/h3-8,10-12H,2,9H2,1H3,(H2,19,20,21,23,24,25).
What are the key properties of 9-phenyl-6-N-propyl-2-N-pyrimidin-2-ylpurine-2,6-diamine?
9-phenyl-6-N-propyl-2-N-pyrimidin-2-ylpurine-2,6-diamine has a molecular weight of 346.40 g/mol, XLogP of 3.17, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 9-phenyl-6-N-propyl-2-N-pyrimidin-2-ylpurine-2,6-diamine is sourced from PubChem (CID 117080414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).