2,6-dichloro-4-N,8-N-bis(4-methoxyphenyl)pyrimido[5,4-d]pyrimidine-4,8-diamine

C20H16Cl2N6O2 — CID 11113034

IUPAC2,6-dichloro-4-N,8-N-bis(4-methoxyphenyl)pyrimido[5,4-d]pyrimidine-4,8-diamine
SMILESCOc1ccc(Nc2nc(Cl)nc3c(Nc4ccc(OC)cc4)nc(Cl)nc23)cc1
InChIInChI=1S/C20H16Cl2N6O2/c1-29-13-7-3-11(4-8-13)23-17-15-16(26-19(21)27-17)18(28-20(22)25-15)24-12-5-9-14(30-2)10-6-12/h3-10H,1-2H3,(H,23,26,27)(H,24,25,28)
InChIKeyHJIKTQFBEVOHLS-UHFFFAOYSA-N
MW443.29 g/mol
LogP5.23
Rot. Bonds6

About 2,6-dichloro-4-N,8-N-bis(4-methoxyphenyl)pyrimido[5,4-d]pyrimidine-4,8-diamine

2,6-dichloro-4-N,8-N-bis(4-methoxyphenyl)pyrimido[5,4-d]pyrimidine-4,8-diamine (PubChem CID 11113034) has the molecular formula C20H16Cl2N6O2 and a molecular weight of 443.29 g/mol. Its IUPAC name is 2,6-dichloro-4-N,8-N-bis(4-methoxyphenyl)pyrimido[5,4-d]pyrimidine-4,8-diamine.

Molecular Properties

Compound Name2,6-dichloro-4-N,8-N-bis(4-methoxyphenyl)pyrimido[5,4-d]pyrimidine-4,8-diamine
PubChem CID11113034
Molecular FormulaC20H16Cl2N6O2
Molecular Weight443.29 g/mol
Exact Mass442.07
IUPAC Name2,6-dichloro-4-N,8-N-bis(4-methoxyphenyl)pyrimido[5,4-d]pyrimidine-4,8-diamine
SMILESCOc1ccc(Nc2nc(Cl)nc3c(Nc4ccc(OC)cc4)nc(Cl)nc23)cc1
InChIInChI=1S/C20H16Cl2N6O2/c1-29-13-7-3-11(4-8-13)23-17-15-16(26-19(21)27-17)18(28-20(22)25-15)24-12-5-9-14(30-2)10-6-12/h3-10H,1-2H3,(H,23,26,27)(H,24,25,28)
InChIKeyHJIKTQFBEVOHLS-UHFFFAOYSA-N
XLogP5.23
TPSA94.08 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500443.29
LogP ≤ 55.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

2-N,4-N,6-N,8-N-tetrakis(4-methoxyphenyl)pyrimido[5,4-d]pyrimidine-2,4,6,8-tetramine
CID 15629175
6-chloro-2-N,4-N-bis(4-methoxyphenyl)-1,3,5-triazine-2,4-diamine
CID 23191
2-chloro-N-(4-methoxyphenyl)thieno[3,2-d]pyrimidin-4-amine
CID 112750193
2-chloro-4-N-(4-methoxyphenyl)-5-N-oxidopyrimidine-4,5-diamine
CID 144695477
3,5,6-trichloro-N-(4-methoxyphenyl)pyridin-2-amine
CID 102749971
2-chloro-4-(4-methoxyanilino)pyrimidine-5-carbonitrile
CID 146277764
4,6-dichloro-N-(4-methoxyphenyl)pyrimidin-2-amine
CID 10849619
2-chloro-4-methoxy-N-(4-methoxyphenyl)aniline
CID 139794718
3-chloro-2-N-(4-methoxyphenyl)pyridine-2,5-diamine
CID 82480714
6-chloro-2-ethyl-N-(4-methoxyphenyl)-5-methylpyrimidin-4-amine
CID 80974052
4-chloro-N-(4-methoxyphenyl)-6-propan-2-yloxy-1,3,5-triazin-2-amine
CID 62870184
6-chloro-2-N-(4-methoxyphenyl)-4-N-propyl-1,3,5-triazine-2,4-diamine
CID 80760173

Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-4-N,8-N-bis(4-methoxyphenyl)pyrimido[5,4-d]pyrimidine-4,8-diamine?
The IUPAC name of 2,6-dichloro-4-N,8-N-bis(4-methoxyphenyl)pyrimido[5,4-d]pyrimidine-4,8-diamine (CID 11113034) is 2,6-dichloro-4-N,8-N-bis(4-methoxyphenyl)pyrimido[5,4-d]pyrimidine-4,8-diamine.
What is the SMILES notation for 2,6-dichloro-4-N,8-N-bis(4-methoxyphenyl)pyrimido[5,4-d]pyrimidine-4,8-diamine?
The canonical SMILES for 2,6-dichloro-4-N,8-N-bis(4-methoxyphenyl)pyrimido[5,4-d]pyrimidine-4,8-diamine is COc1ccc(Nc2nc(Cl)nc3c(Nc4ccc(OC)cc4)nc(Cl)nc23)cc1.
What is the InChIKey of 2,6-dichloro-4-N,8-N-bis(4-methoxyphenyl)pyrimido[5,4-d]pyrimidine-4,8-diamine?
The InChIKey is HJIKTQFBEVOHLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16Cl2N6O2/c1-29-13-7-3-11(4-8-13)23-17-15-16(26-19(21)27-17)18(28-20(22)25-15)24-12-5-9-14(30-2)10-6-12/h3-10H,1-2H3,(H,23,26,27)(H,24,25,28).
What are the key properties of 2,6-dichloro-4-N,8-N-bis(4-methoxyphenyl)pyrimido[5,4-d]pyrimidine-4,8-diamine?
2,6-dichloro-4-N,8-N-bis(4-methoxyphenyl)pyrimido[5,4-d]pyrimidine-4,8-diamine has a molecular weight of 443.29 g/mol, XLogP of 5.23, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-4-N,8-N-bis(4-methoxyphenyl)pyrimido[5,4-d]pyrimidine-4,8-diamine is sourced from PubChem (CID 11113034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).