(2-amino-6-propan-2-ylpyrimidin-4-yl)-[4-(oxan-4-yl)piperazin-1-yl]methanone

C17H27N5O2 — CID 91798019

IUPAC(2-amino-6-propan-2-ylpyrimidin-4-yl)-[4-(oxan-4-yl)piperazin-1-yl]methanone
SMILESCC(C)c1cc(C(=O)N2CCN(C3CCOCC3)CC2)nc(N)n1
InChIInChI=1S/C17H27N5O2/c1-12(2)14-11-15(20-17(18)19-14)16(23)22-7-5-21(6-8-22)13-3-9-24-10-4-13/h11-13H,3-10H2,1-2H3,(H2,18,19,20)
InChIKeyNVULQFWLSITIOI-UHFFFAOYSA-N
MW333.44 g/mol
LogP1.12
Rot. Bonds3

About (2-amino-6-propan-2-ylpyrimidin-4-yl)-[4-(oxan-4-yl)piperazin-1-yl]methanone

(2-amino-6-propan-2-ylpyrimidin-4-yl)-[4-(oxan-4-yl)piperazin-1-yl]methanone (PubChem CID 91798019) has the molecular formula C17H27N5O2 and a molecular weight of 333.44 g/mol. Its IUPAC name is (2-amino-6-propan-2-ylpyrimidin-4-yl)-[4-(oxan-4-yl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(2-amino-6-propan-2-ylpyrimidin-4-yl)-[4-(oxan-4-yl)piperazin-1-yl]methanone
PubChem CID91798019
Molecular FormulaC17H27N5O2
Molecular Weight333.44 g/mol
Exact Mass333.22
IUPAC Name(2-amino-6-propan-2-ylpyrimidin-4-yl)-[4-(oxan-4-yl)piperazin-1-yl]methanone
SMILESCC(C)c1cc(C(=O)N2CCN(C3CCOCC3)CC2)nc(N)n1
InChIInChI=1S/C17H27N5O2/c1-12(2)14-11-15(20-17(18)19-14)16(23)22-7-5-21(6-8-22)13-3-9-24-10-4-13/h11-13H,3-10H2,1-2H3,(H2,18,19,20)
InChIKeyNVULQFWLSITIOI-UHFFFAOYSA-N
XLogP1.12
TPSA84.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.44
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(2-amino-6-propan-2-ylpyrimidin-4-yl)-[2-(oxan-4-yl)-5,6,8,9-tetrahydro-[1,2,4]triazolo[1,5-d][1,4]diazepin-7-yl]methanone
CID 163316633
4-(2-amino-6-propan-2-ylpyrimidine-4-carbonyl)-1,4-oxazepane-6-carboxylic acid
CID 138383212
(2-methyl-1,3-thiazol-4-yl)-[4-(oxan-4-yl)piperazin-1-yl]methanone
CID 131931854
(2-amino-6-propan-2-ylpyrimidin-4-yl)-[4-(1-hydroxy-2-phenylethyl)piperidin-1-yl]methanone
CID 86285901
(2-amino-6-propan-2-ylpyrimidin-4-yl)-[6-hydroxy-6-(pyrrolidin-1-ylmethyl)-1,4-oxazepan-4-yl]methanone
CID 70723605
[(3S)-1-(2-amino-6-propan-2-ylpyrimidine-4-carbonyl)pyrrolidin-3-yl]methanesulfonamide
CID 125168841
(2-amino-6-propan-2-ylpyrimidin-4-yl)-[(3S)-3-[4-(2-methoxyphenyl)piperazin-1-yl]piperidin-1-yl]methanone
CID 25289249
[(3R,5R)-3,5-dimethylpiperidin-1-yl]-(2-morpholin-4-yl-6-propan-2-ylpyrimidin-4-yl)methanone
CID 97416104
5-[4-(oxan-4-yl)piperazine-1-carbonyl]-1H-pyrazin-2-one
CID 91796344
(3-methyl-1,2-oxazol-5-yl)-[4-(oxan-4-yl)piperazin-1-yl]methanone
CID 136512064
(2-amino-6-propan-2-ylpyrimidin-4-yl)-(2-phenyl-5,6,8,9-tetrahydro-[1,2,4]triazolo[1,5-d][1,4]diazepin-7-yl)methanone
CID 163318190
(2-amino-6-propan-2-ylpyrimidin-4-yl)-[(3R,6S)-3-(dimethylamino)-6-(hydroxymethyl)azepan-1-yl]methanone
CID 169412652

Frequently Asked Questions

What is the IUPAC name of (2-amino-6-propan-2-ylpyrimidin-4-yl)-[4-(oxan-4-yl)piperazin-1-yl]methanone?
The IUPAC name of (2-amino-6-propan-2-ylpyrimidin-4-yl)-[4-(oxan-4-yl)piperazin-1-yl]methanone (CID 91798019) is (2-amino-6-propan-2-ylpyrimidin-4-yl)-[4-(oxan-4-yl)piperazin-1-yl]methanone.
What is the SMILES notation for (2-amino-6-propan-2-ylpyrimidin-4-yl)-[4-(oxan-4-yl)piperazin-1-yl]methanone?
The canonical SMILES for (2-amino-6-propan-2-ylpyrimidin-4-yl)-[4-(oxan-4-yl)piperazin-1-yl]methanone is CC(C)c1cc(C(=O)N2CCN(C3CCOCC3)CC2)nc(N)n1.
What is the InChIKey of (2-amino-6-propan-2-ylpyrimidin-4-yl)-[4-(oxan-4-yl)piperazin-1-yl]methanone?
The InChIKey is NVULQFWLSITIOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N5O2/c1-12(2)14-11-15(20-17(18)19-14)16(23)22-7-5-21(6-8-22)13-3-9-24-10-4-13/h11-13H,3-10H2,1-2H3,(H2,18,19,20).
What are the key properties of (2-amino-6-propan-2-ylpyrimidin-4-yl)-[4-(oxan-4-yl)piperazin-1-yl]methanone?
(2-amino-6-propan-2-ylpyrimidin-4-yl)-[4-(oxan-4-yl)piperazin-1-yl]methanone has a molecular weight of 333.44 g/mol, XLogP of 1.12, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-6-propan-2-ylpyrimidin-4-yl)-[4-(oxan-4-yl)piperazin-1-yl]methanone is sourced from PubChem (CID 91798019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).