7-(4-methylpiperazin-1-yl)-N-(4-morpholin-4-ylphenyl)-1,4-dihydropyrido[4,3-d]pyrimidin-5-amine

C22H29N7O — CID 68638905

IUPAC7-(4-methylpiperazin-1-yl)-N-(4-morpholin-4-ylphenyl)-1,4-dihydropyrido[4,3-d]pyrimidin-5-amine
SMILESCN1CCN(c2cc3c(c(Nc4ccc(N5CCOCC5)cc4)n2)CN=CN3)CC1
InChIInChI=1S/C22H29N7O/c1-27-6-8-29(9-7-27)21-14-20-19(15-23-16-24-20)22(26-21)25-17-2-4-18(5-3-17)28-10-12-30-13-11-28/h2-5,14,16H,6-13,15H2,1H3,(H,23,24)(H,25,26)
InChIKeySQLKVPHYTOAWHB-UHFFFAOYSA-N
MW407.52 g/mol
LogP2.37
Rot. Bonds4

About 7-(4-methylpiperazin-1-yl)-N-(4-morpholin-4-ylphenyl)-1,4-dihydropyrido[4,3-d]pyrimidin-5-amine

7-(4-methylpiperazin-1-yl)-N-(4-morpholin-4-ylphenyl)-1,4-dihydropyrido[4,3-d]pyrimidin-5-amine (PubChem CID 68638905) has the molecular formula C22H29N7O and a molecular weight of 407.52 g/mol. Its IUPAC name is 7-(4-methylpiperazin-1-yl)-N-(4-morpholin-4-ylphenyl)-1,4-dihydropyrido[4,3-d]pyrimidin-5-amine.

Molecular Properties

Compound Name7-(4-methylpiperazin-1-yl)-N-(4-morpholin-4-ylphenyl)-1,4-dihydropyrido[4,3-d]pyrimidin-5-amine
PubChem CID68638905
Molecular FormulaC22H29N7O
Molecular Weight407.52 g/mol
Exact Mass407.24
IUPAC Name7-(4-methylpiperazin-1-yl)-N-(4-morpholin-4-ylphenyl)-1,4-dihydropyrido[4,3-d]pyrimidin-5-amine
SMILESCN1CCN(c2cc3c(c(Nc4ccc(N5CCOCC5)cc4)n2)CN=CN3)CC1
InChIInChI=1S/C22H29N7O/c1-27-6-8-29(9-7-27)21-14-20-19(15-23-16-24-20)22(26-21)25-17-2-4-18(5-3-17)28-10-12-30-13-11-28/h2-5,14,16H,6-13,15H2,1H3,(H,23,24)(H,25,26)
InChIKeySQLKVPHYTOAWHB-UHFFFAOYSA-N
XLogP2.37
TPSA68.26 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.52
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-(4-methylpiperazin-1-yl)-N-(4-morpholin-4-ylphenyl)-1,4-dihydropyrido[4,3-d]pyrimidin-5-amine?
The IUPAC name of 7-(4-methylpiperazin-1-yl)-N-(4-morpholin-4-ylphenyl)-1,4-dihydropyrido[4,3-d]pyrimidin-5-amine (CID 68638905) is 7-(4-methylpiperazin-1-yl)-N-(4-morpholin-4-ylphenyl)-1,4-dihydropyrido[4,3-d]pyrimidin-5-amine.
What is the SMILES notation for 7-(4-methylpiperazin-1-yl)-N-(4-morpholin-4-ylphenyl)-1,4-dihydropyrido[4,3-d]pyrimidin-5-amine?
The canonical SMILES for 7-(4-methylpiperazin-1-yl)-N-(4-morpholin-4-ylphenyl)-1,4-dihydropyrido[4,3-d]pyrimidin-5-amine is CN1CCN(c2cc3c(c(Nc4ccc(N5CCOCC5)cc4)n2)CN=CN3)CC1.
What is the InChIKey of 7-(4-methylpiperazin-1-yl)-N-(4-morpholin-4-ylphenyl)-1,4-dihydropyrido[4,3-d]pyrimidin-5-amine?
The InChIKey is SQLKVPHYTOAWHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N7O/c1-27-6-8-29(9-7-27)21-14-20-19(15-23-16-24-20)22(26-21)25-17-2-4-18(5-3-17)28-10-12-30-13-11-28/h2-5,14,16H,6-13,15H2,1H3,(H,23,24)(H,25,26).
What are the key properties of 7-(4-methylpiperazin-1-yl)-N-(4-morpholin-4-ylphenyl)-1,4-dihydropyrido[4,3-d]pyrimidin-5-amine?
7-(4-methylpiperazin-1-yl)-N-(4-morpholin-4-ylphenyl)-1,4-dihydropyrido[4,3-d]pyrimidin-5-amine has a molecular weight of 407.52 g/mol, XLogP of 2.37, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-methylpiperazin-1-yl)-N-(4-morpholin-4-ylphenyl)-1,4-dihydropyrido[4,3-d]pyrimidin-5-amine is sourced from PubChem (CID 68638905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).