(2R)-1-[2,4-bis(dimethylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-2-morpholin-4-ylbutan-1-one

C19H32N6O2 — CID 95559807

IUPAC(2R)-1-[2,4-bis(dimethylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-2-morpholin-4-ylbutan-1-one
SMILESCC[C@H](C(=O)N1CCc2c(nc(N(C)C)nc2N(C)C)C1)N1CCOCC1
InChIInChI=1S/C19H32N6O2/c1-6-16(24-9-11-27-12-10-24)18(26)25-8-7-14-15(13-25)20-19(23(4)5)21-17(14)22(2)3/h16H,6-13H2,1-5H3/t16-/m1/s1
InChIKeyVFMKYYXYLNRVET-MRXNPFEDSA-N
MW376.51 g/mol
LogP0.60
Rot. Bonds5

About (2R)-1-[2,4-bis(dimethylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-2-morpholin-4-ylbutan-1-one

(2R)-1-[2,4-bis(dimethylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-2-morpholin-4-ylbutan-1-one (PubChem CID 95559807) has the molecular formula C19H32N6O2 and a molecular weight of 376.51 g/mol. Its IUPAC name is (2R)-1-[2,4-bis(dimethylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-2-morpholin-4-ylbutan-1-one.

Molecular Properties

Compound Name(2R)-1-[2,4-bis(dimethylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-2-morpholin-4-ylbutan-1-one
PubChem CID95559807
Molecular FormulaC19H32N6O2
Molecular Weight376.51 g/mol
Exact Mass376.26
IUPAC Name(2R)-1-[2,4-bis(dimethylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-2-morpholin-4-ylbutan-1-one
SMILESCC[C@H](C(=O)N1CCc2c(nc(N(C)C)nc2N(C)C)C1)N1CCOCC1
InChIInChI=1S/C19H32N6O2/c1-6-16(24-9-11-27-12-10-24)18(26)25-8-7-14-15(13-25)20-19(23(4)5)21-17(14)22(2)3/h16H,6-13H2,1-5H3/t16-/m1/s1
InChIKeyVFMKYYXYLNRVET-MRXNPFEDSA-N
XLogP0.60
TPSA65.04 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.51
LogP ≤ 50.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (2R)-1-[2,4-bis(dimethylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-2-morpholin-4-ylbutan-1-one?
The IUPAC name of (2R)-1-[2,4-bis(dimethylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-2-morpholin-4-ylbutan-1-one (CID 95559807) is (2R)-1-[2,4-bis(dimethylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-2-morpholin-4-ylbutan-1-one.
What is the SMILES notation for (2R)-1-[2,4-bis(dimethylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-2-morpholin-4-ylbutan-1-one?
The canonical SMILES for (2R)-1-[2,4-bis(dimethylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-2-morpholin-4-ylbutan-1-one is CC[C@H](C(=O)N1CCc2c(nc(N(C)C)nc2N(C)C)C1)N1CCOCC1.
What is the InChIKey of (2R)-1-[2,4-bis(dimethylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-2-morpholin-4-ylbutan-1-one?
The InChIKey is VFMKYYXYLNRVET-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H32N6O2/c1-6-16(24-9-11-27-12-10-24)18(26)25-8-7-14-15(13-25)20-19(23(4)5)21-17(14)22(2)3/h16H,6-13H2,1-5H3/t16-/m1/s1.
What are the key properties of (2R)-1-[2,4-bis(dimethylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-2-morpholin-4-ylbutan-1-one?
(2R)-1-[2,4-bis(dimethylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-2-morpholin-4-ylbutan-1-one has a molecular weight of 376.51 g/mol, XLogP of 0.60, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[2,4-bis(dimethylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-2-morpholin-4-ylbutan-1-one is sourced from PubChem (CID 95559807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).