6-N-(oxolan-2-ylmethyl)-4-N-(4-phenylmethoxyphenyl)pyrimido[5,4-d]pyrimidine-4,6-diamine

C24H24N6O2 — CID 18967327

IUPAC6-N-(oxolan-2-ylmethyl)-4-N-(4-phenylmethoxyphenyl)pyrimido[5,4-d]pyrimidine-4,6-diamine
SMILESc1ccc(COc2ccc(Nc3ncnc4cnc(NCC5CCCO5)nc34)cc2)cc1
InChIInChI=1S/C24H24N6O2/c1-2-5-17(6-3-1)15-32-19-10-8-18(9-11-19)29-23-22-21(27-16-28-23)14-26-24(30-22)25-13-20-7-4-12-31-20/h1-3,5-6,8-11,14,16,20H,4,7,12-13,15H2,(H,25,26,30)(H,27,28,29)
InChIKeyYVQHDQMYDLORPQ-UHFFFAOYSA-N
MW428.50 g/mol
LogP4.33
Rot. Bonds8

About 6-N-(oxolan-2-ylmethyl)-4-N-(4-phenylmethoxyphenyl)pyrimido[5,4-d]pyrimidine-4,6-diamine

6-N-(oxolan-2-ylmethyl)-4-N-(4-phenylmethoxyphenyl)pyrimido[5,4-d]pyrimidine-4,6-diamine (PubChem CID 18967327) has the molecular formula C24H24N6O2 and a molecular weight of 428.50 g/mol. Its IUPAC name is 6-N-(oxolan-2-ylmethyl)-4-N-(4-phenylmethoxyphenyl)pyrimido[5,4-d]pyrimidine-4,6-diamine.

Molecular Properties

Compound Name6-N-(oxolan-2-ylmethyl)-4-N-(4-phenylmethoxyphenyl)pyrimido[5,4-d]pyrimidine-4,6-diamine
PubChem CID18967327
Molecular FormulaC24H24N6O2
Molecular Weight428.50 g/mol
Exact Mass428.20
IUPAC Name6-N-(oxolan-2-ylmethyl)-4-N-(4-phenylmethoxyphenyl)pyrimido[5,4-d]pyrimidine-4,6-diamine
SMILESc1ccc(COc2ccc(Nc3ncnc4cnc(NCC5CCCO5)nc34)cc2)cc1
InChIInChI=1S/C24H24N6O2/c1-2-5-17(6-3-1)15-32-19-10-8-18(9-11-19)29-23-22-21(27-16-28-23)14-26-24(30-22)25-13-20-7-4-12-31-20/h1-3,5-6,8-11,14,16,20H,4,7,12-13,15H2,(H,25,26,30)(H,27,28,29)
InChIKeyYVQHDQMYDLORPQ-UHFFFAOYSA-N
XLogP4.33
TPSA94.08 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.50
LogP ≤ 54.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

1-[[(2R)-oxolan-2-yl]methyl]-3-(4-phenylmethoxyphenyl)thiourea
CID 8022384
4-N-(4-ethoxyphenyl)-2-N-(oxolan-2-ylmethyl)pyrimidine-2,4-diamine
CID 112886926
4-N,6-N-diphenylpyrimido[5,4-d]pyrimidine-4,6-diamine
CID 19709380
4-N-(4-methoxyphenyl)-6-N-[[(2S)-oxolan-2-yl]methyl]-1-phenylpyrazolo[3,4-d]pyrimidine-4,6-diamine
CID 27443533
N-(oxolan-2-ylmethyl)-2-(4-phenylmethoxyphenoxy)acetamide
CID 18168439
2-(oxolan-2-ylmethylamino)-N-(4-phenoxyphenyl)pyrimidine-5-carboxamide
CID 109252640
6-[3-(1,3-dioxolan-2-yl)phenyl]-N-(4-phenylmethoxyphenyl)pyrido[3,4-d]pyrimidin-4-amine
CID 22725131
4-(4-phenylmethoxyanilino)quinazolin-7-ol
CID 135984119
4-N-(4-methoxyphenyl)-6-N-(oxolan-2-ylmethyl)pyrimidine-4,6-diamine
CID 112857303
5-chloro-2-N-[4-(oxan-4-ylmethoxy)phenyl]-4-N-(oxolan-2-ylmethyl)pyrimidine-2,4-diamine
CID 162732560
N-(4-phenylmethoxyphenyl)thieno[3,2-d]pyrimidin-4-amine
CID 22112865
4-N-(3-chloro-4-phenylmethoxyphenyl)-6-N-[4-(dimethylamino)cyclohexyl]pyrimido[5,4-d]pyrimidine-4,6-diamine
CID 18967383

Frequently Asked Questions

What is the IUPAC name of 6-N-(oxolan-2-ylmethyl)-4-N-(4-phenylmethoxyphenyl)pyrimido[5,4-d]pyrimidine-4,6-diamine?
The IUPAC name of 6-N-(oxolan-2-ylmethyl)-4-N-(4-phenylmethoxyphenyl)pyrimido[5,4-d]pyrimidine-4,6-diamine (CID 18967327) is 6-N-(oxolan-2-ylmethyl)-4-N-(4-phenylmethoxyphenyl)pyrimido[5,4-d]pyrimidine-4,6-diamine.
What is the SMILES notation for 6-N-(oxolan-2-ylmethyl)-4-N-(4-phenylmethoxyphenyl)pyrimido[5,4-d]pyrimidine-4,6-diamine?
The canonical SMILES for 6-N-(oxolan-2-ylmethyl)-4-N-(4-phenylmethoxyphenyl)pyrimido[5,4-d]pyrimidine-4,6-diamine is c1ccc(COc2ccc(Nc3ncnc4cnc(NCC5CCCO5)nc34)cc2)cc1.
What is the InChIKey of 6-N-(oxolan-2-ylmethyl)-4-N-(4-phenylmethoxyphenyl)pyrimido[5,4-d]pyrimidine-4,6-diamine?
The InChIKey is YVQHDQMYDLORPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N6O2/c1-2-5-17(6-3-1)15-32-19-10-8-18(9-11-19)29-23-22-21(27-16-28-23)14-26-24(30-22)25-13-20-7-4-12-31-20/h1-3,5-6,8-11,14,16,20H,4,7,12-13,15H2,(H,25,26,30)(H,27,28,29).
What are the key properties of 6-N-(oxolan-2-ylmethyl)-4-N-(4-phenylmethoxyphenyl)pyrimido[5,4-d]pyrimidine-4,6-diamine?
6-N-(oxolan-2-ylmethyl)-4-N-(4-phenylmethoxyphenyl)pyrimido[5,4-d]pyrimidine-4,6-diamine has a molecular weight of 428.50 g/mol, XLogP of 4.33, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-(oxolan-2-ylmethyl)-4-N-(4-phenylmethoxyphenyl)pyrimido[5,4-d]pyrimidine-4,6-diamine is sourced from PubChem (CID 18967327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).