N-[[3-[2,4-bis[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]phenyl]methyl]propan-2-amine

C27H36N6O2 — CID 57441960

IUPACN-[[3-[2,4-bis[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]phenyl]methyl]propan-2-amine
SMILESCC(C)NCc1cccc(-c2ccc3c(N4CCOC[C@@H]4C)nc(N4CCOC[C@@H]4C)nc3n2)c1
InChIInChI=1S/C27H36N6O2/c1-18(2)28-15-21-6-5-7-22(14-21)24-9-8-23-25(29-24)30-27(33-11-13-35-17-20(33)4)31-26(23)32-10-12-34-16-19(32)3/h5-9,14,18-20,28H,10-13,15-17H2,1-4H3/t19-,20-/m0/s1
InChIKeyQQONAWLRRRQDQD-PMACEKPBSA-N
MW476.63 g/mol
LogP3.64
Rot. Bonds6

About N-[[3-[2,4-bis[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]phenyl]methyl]propan-2-amine

N-[[3-[2,4-bis[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]phenyl]methyl]propan-2-amine (PubChem CID 57441960) has the molecular formula C27H36N6O2 and a molecular weight of 476.63 g/mol. Its IUPAC name is N-[[3-[2,4-bis[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]phenyl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[3-[2,4-bis[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]phenyl]methyl]propan-2-amine
PubChem CID57441960
Molecular FormulaC27H36N6O2
Molecular Weight476.63 g/mol
Exact Mass476.29
IUPAC NameN-[[3-[2,4-bis[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]phenyl]methyl]propan-2-amine
SMILESCC(C)NCc1cccc(-c2ccc3c(N4CCOC[C@@H]4C)nc(N4CCOC[C@@H]4C)nc3n2)c1
InChIInChI=1S/C27H36N6O2/c1-18(2)28-15-21-6-5-7-22(14-21)24-9-8-23-25(29-24)30-27(33-11-13-35-17-20(33)4)31-26(23)32-10-12-34-16-19(32)3/h5-9,14,18-20,28H,10-13,15-17H2,1-4H3/t19-,20-/m0/s1
InChIKeyQQONAWLRRRQDQD-PMACEKPBSA-N
XLogP3.64
TPSA75.64 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.63
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[[3-[2,4-bis[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]phenyl]methyl]propan-2-amine?
The IUPAC name of N-[[3-[2,4-bis[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]phenyl]methyl]propan-2-amine (CID 57441960) is N-[[3-[2,4-bis[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]phenyl]methyl]propan-2-amine.
What is the SMILES notation for N-[[3-[2,4-bis[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]phenyl]methyl]propan-2-amine?
The canonical SMILES for N-[[3-[2,4-bis[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]phenyl]methyl]propan-2-amine is CC(C)NCc1cccc(-c2ccc3c(N4CCOC[C@@H]4C)nc(N4CCOC[C@@H]4C)nc3n2)c1.
What is the InChIKey of N-[[3-[2,4-bis[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]phenyl]methyl]propan-2-amine?
The InChIKey is QQONAWLRRRQDQD-PMACEKPBSA-N. The full InChI is InChI=1S/C27H36N6O2/c1-18(2)28-15-21-6-5-7-22(14-21)24-9-8-23-25(29-24)30-27(33-11-13-35-17-20(33)4)31-26(23)32-10-12-34-16-19(32)3/h5-9,14,18-20,28H,10-13,15-17H2,1-4H3/t19-,20-/m0/s1.
What are the key properties of N-[[3-[2,4-bis[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]phenyl]methyl]propan-2-amine?
N-[[3-[2,4-bis[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]phenyl]methyl]propan-2-amine has a molecular weight of 476.63 g/mol, XLogP of 3.64, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[2,4-bis[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]phenyl]methyl]propan-2-amine is sourced from PubChem (CID 57441960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).