(2R)-2-amino-1-[4-(dimethylamino)-2-pyridin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-3-hydroxypropan-1-one

C17H22N6O2 — CID 56905263

IUPAC(2R)-2-amino-1-[4-(dimethylamino)-2-pyridin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-3-hydroxypropan-1-one
SMILESCN(C)c1nc(-c2ccncc2)nc2c1CCN(C(=O)[C@H](N)CO)C2
InChIInChI=1S/C17H22N6O2/c1-22(2)16-12-5-8-23(17(25)13(18)10-24)9-14(12)20-15(21-16)11-3-6-19-7-4-11/h3-4,6-7,13,24H,5,8-10,18H2,1-2H3/t13-/m1/s1
InChIKeyQVLHXDVHKGRHDX-CYBMUJFWSA-N
MW342.40 g/mol
LogP-0.19
Rot. Bonds4

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

(2R)-2-amino-1-[4-(dimethylamino)-2-pyridin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-3-hydroxypropan-1-one (PubChem CID 56905263) has the molecular formula C17H22N6O2 and a molecular weight of 342.40 g/mol. Its IUPAC name is (2R)-2-amino-1-[4-(dimethylamino)-2-pyridin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-3-hydroxypropan-1-one.

Molecular Properties

Compound Name(2R)-2-amino-1-[4-(dimethylamino)-2-pyridin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-3-hydroxypropan-1-one
PubChem CID56905263
Molecular FormulaC17H22N6O2
Molecular Weight342.40 g/mol
Exact Mass342.18
IUPAC Name(2R)-2-amino-1-[4-(dimethylamino)-2-pyridin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-3-hydroxypropan-1-one
SMILESCN(C)c1nc(-c2ccncc2)nc2c1CCN(C(=O)[C@H](N)CO)C2
InChIInChI=1S/C17H22N6O2/c1-22(2)16-12-5-8-23(17(25)13(18)10-24)9-14(12)20-15(21-16)11-3-6-19-7-4-11/h3-4,6-7,13,24H,5,8-10,18H2,1-2H3/t13-/m1/s1
InChIKeyQVLHXDVHKGRHDX-CYBMUJFWSA-N
XLogP-0.19
TPSA108.47 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 5-0.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-1-[4-(dimethylamino)-2-pyridin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-3-hydroxypropan-1-one?
The IUPAC name of (2R)-2-amino-1-[4-(dimethylamino)-2-pyridin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-3-hydroxypropan-1-one (CID 56905263) is (2R)-2-amino-1-[4-(dimethylamino)-2-pyridin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-3-hydroxypropan-1-one.
What is the SMILES notation for (2R)-2-amino-1-[4-(dimethylamino)-2-pyridin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-3-hydroxypropan-1-one?
The canonical SMILES for (2R)-2-amino-1-[4-(dimethylamino)-2-pyridin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-3-hydroxypropan-1-one is CN(C)c1nc(-c2ccncc2)nc2c1CCN(C(=O)[C@H](N)CO)C2.
What is the InChIKey of (2R)-2-amino-1-[4-(dimethylamino)-2-pyridin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-3-hydroxypropan-1-one?
The InChIKey is QVLHXDVHKGRHDX-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H22N6O2/c1-22(2)16-12-5-8-23(17(25)13(18)10-24)9-14(12)20-15(21-16)11-3-6-19-7-4-11/h3-4,6-7,13,24H,5,8-10,18H2,1-2H3/t13-/m1/s1.
What are the key properties of (2R)-2-amino-1-[4-(dimethylamino)-2-pyridin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-3-hydroxypropan-1-one?
(2R)-2-amino-1-[4-(dimethylamino)-2-pyridin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-3-hydroxypropan-1-one has a molecular weight of 342.40 g/mol, XLogP of -0.19, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-1-[4-(dimethylamino)-2-pyridin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-3-hydroxypropan-1-one is sourced from PubChem (CID 56905263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).