5-[2,4-bis[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]-N,N-dimethylpyridin-2-amine

C24H31N7O2 — CID 57441912

IUPAC5-[2,4-bis[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]-N,N-dimethylpyridin-2-amine
SMILESC[C@H]1COCCN1c1nc(N2CCOC[C@@H]2C)c2ccc(-c3ccc(N(C)C)nc3)nc2n1
InChIInChI=1S/C24H31N7O2/c1-16-14-32-11-9-30(16)23-19-6-7-20(18-5-8-21(25-13-18)29(3)4)26-22(19)27-24(28-23)31-10-12-33-15-17(31)2/h5-8,13,16-17H,9-12,14-15H2,1-4H3/t16-,17-/m0/s1
InChIKeyUAPNCQHYURZFQD-IRXDYDNUSA-N
MW449.56 g/mol
LogP2.60
Rot. Bonds4

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

5-[2,4-bis[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]-N,N-dimethylpyridin-2-amine (PubChem CID 57441912) has the molecular formula C24H31N7O2 and a molecular weight of 449.56 g/mol. Its IUPAC name is 5-[2,4-bis[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]-N,N-dimethylpyridin-2-amine.

Molecular Properties

Compound Name5-[2,4-bis[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]-N,N-dimethylpyridin-2-amine
PubChem CID57441912
Molecular FormulaC24H31N7O2
Molecular Weight449.56 g/mol
Exact Mass449.25
IUPAC Name5-[2,4-bis[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]-N,N-dimethylpyridin-2-amine
SMILESC[C@H]1COCCN1c1nc(N2CCOC[C@@H]2C)c2ccc(-c3ccc(N(C)C)nc3)nc2n1
InChIInChI=1S/C24H31N7O2/c1-16-14-32-11-9-30(16)23-19-6-7-20(18-5-8-21(25-13-18)29(3)4)26-22(19)27-24(28-23)31-10-12-33-15-17(31)2/h5-8,13,16-17H,9-12,14-15H2,1-4H3/t16-,17-/m0/s1
InChIKeyUAPNCQHYURZFQD-IRXDYDNUSA-N
XLogP2.60
TPSA79.74 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.56
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 5-[2,4-bis[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]-N,N-dimethylpyridin-2-amine?
The IUPAC name of 5-[2,4-bis[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]-N,N-dimethylpyridin-2-amine (CID 57441912) is 5-[2,4-bis[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]-N,N-dimethylpyridin-2-amine.
What is the SMILES notation for 5-[2,4-bis[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]-N,N-dimethylpyridin-2-amine?
The canonical SMILES for 5-[2,4-bis[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]-N,N-dimethylpyridin-2-amine is C[C@H]1COCCN1c1nc(N2CCOC[C@@H]2C)c2ccc(-c3ccc(N(C)C)nc3)nc2n1.
What is the InChIKey of 5-[2,4-bis[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]-N,N-dimethylpyridin-2-amine?
The InChIKey is UAPNCQHYURZFQD-IRXDYDNUSA-N. The full InChI is InChI=1S/C24H31N7O2/c1-16-14-32-11-9-30(16)23-19-6-7-20(18-5-8-21(25-13-18)29(3)4)26-22(19)27-24(28-23)31-10-12-33-15-17(31)2/h5-8,13,16-17H,9-12,14-15H2,1-4H3/t16-,17-/m0/s1.
What are the key properties of 5-[2,4-bis[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]-N,N-dimethylpyridin-2-amine?
5-[2,4-bis[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]-N,N-dimethylpyridin-2-amine has a molecular weight of 449.56 g/mol, XLogP of 2.60, 4 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2,4-bis[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]-N,N-dimethylpyridin-2-amine is sourced from PubChem (CID 57441912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).