[2-amino-4-[[(2R)-1-hydroxy-2-methylhexan-2-yl]amino]pyrido[3,2-d]pyrimidin-7-yl]-morpholin-4-ylmethanone

C19H28N6O3 — CID 166010273

IUPAC[2-amino-4-[[(2R)-1-hydroxy-2-methylhexan-2-yl]amino]pyrido[3,2-d]pyrimidin-7-yl]-morpholin-4-ylmethanone
SMILESCCCC[C@](C)(CO)Nc1nc(N)nc2cc(C(=O)N3CCOCC3)cnc12
InChIInChI=1S/C19H28N6O3/c1-3-4-5-19(2,12-26)24-16-15-14(22-18(20)23-16)10-13(11-21-15)17(27)25-6-8-28-9-7-25/h10-11,26H,3-9,12H2,1-2H3,(H3,20,22,23,24)/t19-/m1/s1
InChIKeySAHZBHKWXKPDLD-LJQANCHMSA-N
MW388.47 g/mol
LogP1.43
Rot. Bonds7

About [2-amino-4-[[(2R)-1-hydroxy-2-methylhexan-2-yl]amino]pyrido[3,2-d]pyrimidin-7-yl]-morpholin-4-ylmethanone

[2-amino-4-[[(2R)-1-hydroxy-2-methylhexan-2-yl]amino]pyrido[3,2-d]pyrimidin-7-yl]-morpholin-4-ylmethanone (PubChem CID 166010273) has the molecular formula C19H28N6O3 and a molecular weight of 388.47 g/mol. Its IUPAC name is [2-amino-4-[[(2R)-1-hydroxy-2-methylhexan-2-yl]amino]pyrido[3,2-d]pyrimidin-7-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[2-amino-4-[[(2R)-1-hydroxy-2-methylhexan-2-yl]amino]pyrido[3,2-d]pyrimidin-7-yl]-morpholin-4-ylmethanone
PubChem CID166010273
Molecular FormulaC19H28N6O3
Molecular Weight388.47 g/mol
Exact Mass388.22
IUPAC Name[2-amino-4-[[(2R)-1-hydroxy-2-methylhexan-2-yl]amino]pyrido[3,2-d]pyrimidin-7-yl]-morpholin-4-ylmethanone
SMILESCCCC[C@](C)(CO)Nc1nc(N)nc2cc(C(=O)N3CCOCC3)cnc12
InChIInChI=1S/C19H28N6O3/c1-3-4-5-19(2,12-26)24-16-15-14(22-18(20)23-16)10-13(11-21-15)17(27)25-6-8-28-9-7-25/h10-11,26H,3-9,12H2,1-2H3,(H3,20,22,23,24)/t19-/m1/s1
InChIKeySAHZBHKWXKPDLD-LJQANCHMSA-N
XLogP1.43
TPSA126.49 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.47
LogP ≤ 51.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Launch Full Analysis

Related Compounds

(2R)-2-[[2-amino-7-[1-(difluoromethyl)pyrazol-4-yl]pyrido[3,2-d]pyrimidin-4-yl]amino]-2-methylhexan-1-ol
CID 178073861
4-[2-amino-4-[[(2R)-1-hydroxy-2-methylhexan-2-yl]amino]pyrido[3,2-d]pyrimidin-7-yl]-3-[(dimethylamino)methyl]-1H-pyridin-2-one
CID 178072054
[5-chloro-6-(ethylamino)-3-pyridinyl]-morpholin-4-ylmethanone
CID 61489721
N-[(2R)-2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-2-methylhexyl]acetamide
CID 122599112
2-[[2-amino-7-[5-methyl-6-(4-methylpiperazin-1-yl)-3-pyridinyl]pyrido[4,3-d]pyrimidin-4-yl]amino]-2-methylhexan-1-ol
CID 170180938
4-[2-amino-4-[[(2R)-1-hydroxy-2-methylhexan-2-yl]amino]pyrido[3,2-d]pyrimidin-7-yl]-5-[[but-3-enyl(propan-2-yl)amino]methyl]-1H-pyridin-2-one
CID 176755016
2-[[2-amino-7-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1,5-naphthyridin-4-yl]amino]-2-methylhexan-1-ol
CID 175339483
N-[2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-2-methylheptyl]acetamide
CID 122585361
[5-chloro-6-[2-[(3,5-dichloro-2-pyridinyl)amino]ethylamino]-3-pyridinyl]-morpholin-4-ylmethanone
CID 133273295
N-[2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-2-methylhexyl]-1,2-oxazole-3-carboxamide
CID 175478859
[6-(butylamino)-2-methylpyrimidin-4-yl]-morpholin-4-ylmethanone
CID 75538795
N-[2-[[3-chloro-5-(morpholine-4-carbonyl)-2-pyridinyl]amino]ethyl]-2,2-dimethylpropanamide
CID 133326860

Frequently Asked Questions

What is the IUPAC name of [2-amino-4-[[(2R)-1-hydroxy-2-methylhexan-2-yl]amino]pyrido[3,2-d]pyrimidin-7-yl]-morpholin-4-ylmethanone?
The IUPAC name of [2-amino-4-[[(2R)-1-hydroxy-2-methylhexan-2-yl]amino]pyrido[3,2-d]pyrimidin-7-yl]-morpholin-4-ylmethanone (CID 166010273) is [2-amino-4-[[(2R)-1-hydroxy-2-methylhexan-2-yl]amino]pyrido[3,2-d]pyrimidin-7-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [2-amino-4-[[(2R)-1-hydroxy-2-methylhexan-2-yl]amino]pyrido[3,2-d]pyrimidin-7-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [2-amino-4-[[(2R)-1-hydroxy-2-methylhexan-2-yl]amino]pyrido[3,2-d]pyrimidin-7-yl]-morpholin-4-ylmethanone is CCCC[C@](C)(CO)Nc1nc(N)nc2cc(C(=O)N3CCOCC3)cnc12.
What is the InChIKey of [2-amino-4-[[(2R)-1-hydroxy-2-methylhexan-2-yl]amino]pyrido[3,2-d]pyrimidin-7-yl]-morpholin-4-ylmethanone?
The InChIKey is SAHZBHKWXKPDLD-LJQANCHMSA-N. The full InChI is InChI=1S/C19H28N6O3/c1-3-4-5-19(2,12-26)24-16-15-14(22-18(20)23-16)10-13(11-21-15)17(27)25-6-8-28-9-7-25/h10-11,26H,3-9,12H2,1-2H3,(H3,20,22,23,24)/t19-/m1/s1.
What are the key properties of [2-amino-4-[[(2R)-1-hydroxy-2-methylhexan-2-yl]amino]pyrido[3,2-d]pyrimidin-7-yl]-morpholin-4-ylmethanone?
[2-amino-4-[[(2R)-1-hydroxy-2-methylhexan-2-yl]amino]pyrido[3,2-d]pyrimidin-7-yl]-morpholin-4-ylmethanone has a molecular weight of 388.47 g/mol, XLogP of 1.43, 7 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [2-amino-4-[[(2R)-1-hydroxy-2-methylhexan-2-yl]amino]pyrido[3,2-d]pyrimidin-7-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 166010273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).