N-[4-(4-morpholin-4-yl-7-pyrimidin-2-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl)phenyl]pyrimidin-2-amine

C25H25N9O — CID 59239271

IUPACN-[4-(4-morpholin-4-yl-7-pyrimidin-2-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl)phenyl]pyrimidin-2-amine
SMILESc1cnc(Nc2ccc(-c3nc4c(c(N5CCOCC5)n3)CCN(c3ncccn3)C4)cc2)nc1
InChIInChI=1S/C25H25N9O/c1-8-26-24(27-9-1)30-19-5-3-18(4-6-19)22-31-21-17-34(25-28-10-2-11-29-25)12-7-20(21)23(32-22)33-13-15-35-16-14-33/h1-6,8-11H,7,12-17H2,(H,26,27,30)
InChIKeyDKLNXNDBZAPKFH-UHFFFAOYSA-N
MW467.54 g/mol
LogP2.87
Rot. Bonds5

About N-[4-(4-morpholin-4-yl-7-pyrimidin-2-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl)phenyl]pyrimidin-2-amine

N-[4-(4-morpholin-4-yl-7-pyrimidin-2-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl)phenyl]pyrimidin-2-amine (PubChem CID 59239271) has the molecular formula C25H25N9O and a molecular weight of 467.54 g/mol. Its IUPAC name is N-[4-(4-morpholin-4-yl-7-pyrimidin-2-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl)phenyl]pyrimidin-2-amine.

Molecular Properties

Compound NameN-[4-(4-morpholin-4-yl-7-pyrimidin-2-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl)phenyl]pyrimidin-2-amine
PubChem CID59239271
Molecular FormulaC25H25N9O
Molecular Weight467.54 g/mol
Exact Mass467.22
IUPAC NameN-[4-(4-morpholin-4-yl-7-pyrimidin-2-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl)phenyl]pyrimidin-2-amine
SMILESc1cnc(Nc2ccc(-c3nc4c(c(N5CCOCC5)n3)CCN(c3ncccn3)C4)cc2)nc1
InChIInChI=1S/C25H25N9O/c1-8-26-24(27-9-1)30-19-5-3-18(4-6-19)22-31-21-17-34(25-28-10-2-11-29-25)12-7-20(21)23(32-22)33-13-15-35-16-14-33/h1-6,8-11H,7,12-17H2,(H,26,27,30)
InChIKeyDKLNXNDBZAPKFH-UHFFFAOYSA-N
XLogP2.87
TPSA105.08 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.54
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of N-[4-(4-morpholin-4-yl-7-pyrimidin-2-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl)phenyl]pyrimidin-2-amine?
The IUPAC name of N-[4-(4-morpholin-4-yl-7-pyrimidin-2-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl)phenyl]pyrimidin-2-amine (CID 59239271) is N-[4-(4-morpholin-4-yl-7-pyrimidin-2-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl)phenyl]pyrimidin-2-amine.
What is the SMILES notation for N-[4-(4-morpholin-4-yl-7-pyrimidin-2-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl)phenyl]pyrimidin-2-amine?
The canonical SMILES for N-[4-(4-morpholin-4-yl-7-pyrimidin-2-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl)phenyl]pyrimidin-2-amine is c1cnc(Nc2ccc(-c3nc4c(c(N5CCOCC5)n3)CCN(c3ncccn3)C4)cc2)nc1.
What is the InChIKey of N-[4-(4-morpholin-4-yl-7-pyrimidin-2-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl)phenyl]pyrimidin-2-amine?
The InChIKey is DKLNXNDBZAPKFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N9O/c1-8-26-24(27-9-1)30-19-5-3-18(4-6-19)22-31-21-17-34(25-28-10-2-11-29-25)12-7-20(21)23(32-22)33-13-15-35-16-14-33/h1-6,8-11H,7,12-17H2,(H,26,27,30).
What are the key properties of N-[4-(4-morpholin-4-yl-7-pyrimidin-2-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl)phenyl]pyrimidin-2-amine?
N-[4-(4-morpholin-4-yl-7-pyrimidin-2-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl)phenyl]pyrimidin-2-amine has a molecular weight of 467.54 g/mol, XLogP of 2.87, 5 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-morpholin-4-yl-7-pyrimidin-2-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl)phenyl]pyrimidin-2-amine is sourced from PubChem (CID 59239271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).