N-[[5-[2,4-bis[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]furan-2-yl]methyl]ethanamine

C24H32N6O3 — CID 57441989

IUPACN-[[5-[2,4-bis[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]furan-2-yl]methyl]ethanamine
SMILESCCNCc1ccc(-c2ccc3c(N4CCOC[C@@H]4C)nc(N4CCOC[C@@H]4C)nc3n2)o1
InChIInChI=1S/C24H32N6O3/c1-4-25-13-18-5-8-21(33-18)20-7-6-19-22(26-20)27-24(30-10-12-32-15-17(30)3)28-23(19)29-9-11-31-14-16(29)2/h5-8,16-17,25H,4,9-15H2,1-3H3/t16-,17-/m0/s1
InChIKeyPHJOGIRUMSJDEO-IRXDYDNUSA-N
MW452.56 g/mol
LogP2.84
Rot. Bonds6

About N-[[5-[2,4-bis[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]furan-2-yl]methyl]ethanamine

N-[[5-[2,4-bis[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]furan-2-yl]methyl]ethanamine (PubChem CID 57441989) has the molecular formula C24H32N6O3 and a molecular weight of 452.56 g/mol. Its IUPAC name is N-[[5-[2,4-bis[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]furan-2-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[5-[2,4-bis[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]furan-2-yl]methyl]ethanamine
PubChem CID57441989
Molecular FormulaC24H32N6O3
Molecular Weight452.56 g/mol
Exact Mass452.25
IUPAC NameN-[[5-[2,4-bis[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]furan-2-yl]methyl]ethanamine
SMILESCCNCc1ccc(-c2ccc3c(N4CCOC[C@@H]4C)nc(N4CCOC[C@@H]4C)nc3n2)o1
InChIInChI=1S/C24H32N6O3/c1-4-25-13-18-5-8-21(33-18)20-7-6-19-22(26-20)27-24(30-10-12-32-15-17(30)3)28-23(19)29-9-11-31-14-16(29)2/h5-8,16-17,25H,4,9-15H2,1-3H3/t16-,17-/m0/s1
InChIKeyPHJOGIRUMSJDEO-IRXDYDNUSA-N
XLogP2.84
TPSA88.78 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.56
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of N-[[5-[2,4-bis[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]furan-2-yl]methyl]ethanamine?
The IUPAC name of N-[[5-[2,4-bis[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]furan-2-yl]methyl]ethanamine (CID 57441989) is N-[[5-[2,4-bis[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]furan-2-yl]methyl]ethanamine.
What is the SMILES notation for N-[[5-[2,4-bis[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]furan-2-yl]methyl]ethanamine?
The canonical SMILES for N-[[5-[2,4-bis[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]furan-2-yl]methyl]ethanamine is CCNCc1ccc(-c2ccc3c(N4CCOC[C@@H]4C)nc(N4CCOC[C@@H]4C)nc3n2)o1.
What is the InChIKey of N-[[5-[2,4-bis[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]furan-2-yl]methyl]ethanamine?
The InChIKey is PHJOGIRUMSJDEO-IRXDYDNUSA-N. The full InChI is InChI=1S/C24H32N6O3/c1-4-25-13-18-5-8-21(33-18)20-7-6-19-22(26-20)27-24(30-10-12-32-15-17(30)3)28-23(19)29-9-11-31-14-16(29)2/h5-8,16-17,25H,4,9-15H2,1-3H3/t16-,17-/m0/s1.
What are the key properties of N-[[5-[2,4-bis[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]furan-2-yl]methyl]ethanamine?
N-[[5-[2,4-bis[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]furan-2-yl]methyl]ethanamine has a molecular weight of 452.56 g/mol, XLogP of 2.84, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-[2,4-bis[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]furan-2-yl]methyl]ethanamine is sourced from PubChem (CID 57441989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).