4-[2-chloro-6-[(3,3-dimethylpyrrolidin-1-yl)methyl]pyrido[3,2-d]pyrimidin-4-yl]morpholine

C18H24ClN5O — CID 58404995

IUPAC4-[2-chloro-6-[(3,3-dimethylpyrrolidin-1-yl)methyl]pyrido[3,2-d]pyrimidin-4-yl]morpholine
SMILESCC1(C)CCN(Cc2ccc3nc(Cl)nc(N4CCOCC4)c3n2)C1
InChIInChI=1S/C18H24ClN5O/c1-18(2)5-6-23(12-18)11-13-3-4-14-15(20-13)16(22-17(19)21-14)24-7-9-25-10-8-24/h3-4H,5-12H2,1-2H3
InChIKeyUXWKXWUASYFMLV-UHFFFAOYSA-N
MW361.88 g/mol
LogP2.75
Rot. Bonds3

About 4-[2-chloro-6-[(3,3-dimethylpyrrolidin-1-yl)methyl]pyrido[3,2-d]pyrimidin-4-yl]morpholine

4-[2-chloro-6-[(3,3-dimethylpyrrolidin-1-yl)methyl]pyrido[3,2-d]pyrimidin-4-yl]morpholine (PubChem CID 58404995) has the molecular formula C18H24ClN5O and a molecular weight of 361.88 g/mol. Its IUPAC name is 4-[2-chloro-6-[(3,3-dimethylpyrrolidin-1-yl)methyl]pyrido[3,2-d]pyrimidin-4-yl]morpholine.

Molecular Properties

Compound Name4-[2-chloro-6-[(3,3-dimethylpyrrolidin-1-yl)methyl]pyrido[3,2-d]pyrimidin-4-yl]morpholine
PubChem CID58404995
Molecular FormulaC18H24ClN5O
Molecular Weight361.88 g/mol
Exact Mass361.17
IUPAC Name4-[2-chloro-6-[(3,3-dimethylpyrrolidin-1-yl)methyl]pyrido[3,2-d]pyrimidin-4-yl]morpholine
SMILESCC1(C)CCN(Cc2ccc3nc(Cl)nc(N4CCOCC4)c3n2)C1
InChIInChI=1S/C18H24ClN5O/c1-18(2)5-6-23(12-18)11-13-3-4-14-15(20-13)16(22-17(19)21-14)24-7-9-25-10-8-24/h3-4H,5-12H2,1-2H3
InChIKeyUXWKXWUASYFMLV-UHFFFAOYSA-N
XLogP2.75
TPSA54.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.88
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[2-chloro-6-[(3,3-dimethylpyrrolidin-1-yl)methyl]pyrido[3,2-d]pyrimidin-4-yl]morpholine?
The IUPAC name of 4-[2-chloro-6-[(3,3-dimethylpyrrolidin-1-yl)methyl]pyrido[3,2-d]pyrimidin-4-yl]morpholine (CID 58404995) is 4-[2-chloro-6-[(3,3-dimethylpyrrolidin-1-yl)methyl]pyrido[3,2-d]pyrimidin-4-yl]morpholine.
What is the SMILES notation for 4-[2-chloro-6-[(3,3-dimethylpyrrolidin-1-yl)methyl]pyrido[3,2-d]pyrimidin-4-yl]morpholine?
The canonical SMILES for 4-[2-chloro-6-[(3,3-dimethylpyrrolidin-1-yl)methyl]pyrido[3,2-d]pyrimidin-4-yl]morpholine is CC1(C)CCN(Cc2ccc3nc(Cl)nc(N4CCOCC4)c3n2)C1.
What is the InChIKey of 4-[2-chloro-6-[(3,3-dimethylpyrrolidin-1-yl)methyl]pyrido[3,2-d]pyrimidin-4-yl]morpholine?
The InChIKey is UXWKXWUASYFMLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24ClN5O/c1-18(2)5-6-23(12-18)11-13-3-4-14-15(20-13)16(22-17(19)21-14)24-7-9-25-10-8-24/h3-4H,5-12H2,1-2H3.
What are the key properties of 4-[2-chloro-6-[(3,3-dimethylpyrrolidin-1-yl)methyl]pyrido[3,2-d]pyrimidin-4-yl]morpholine?
4-[2-chloro-6-[(3,3-dimethylpyrrolidin-1-yl)methyl]pyrido[3,2-d]pyrimidin-4-yl]morpholine has a molecular weight of 361.88 g/mol, XLogP of 2.75, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-chloro-6-[(3,3-dimethylpyrrolidin-1-yl)methyl]pyrido[3,2-d]pyrimidin-4-yl]morpholine is sourced from PubChem (CID 58404995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).