1-(dimethylamino)-2-methyl-3-[[4-(oxan-3-ylamino)pyrimidin-2-yl]amino]propan-2-ol

C15H27N5O2 — CID 128967102

IUPAC1-(dimethylamino)-2-methyl-3-[[4-(oxan-3-ylamino)pyrimidin-2-yl]amino]propan-2-ol
SMILESCN(C)CC(C)(O)CNc1nccc(NC2CCCOC2)n1
InChIInChI=1S/C15H27N5O2/c1-15(21,11-20(2)3)10-17-14-16-7-6-13(19-14)18-12-5-4-8-22-9-12/h6-7,12,21H,4-5,8-11H2,1-3H3,(H2,16,17,18,19)
InChIKeyGKLRVOJHZPYXEV-UHFFFAOYSA-N
MW309.41 g/mol
LogP0.79
Rot. Bonds7

About 1-(dimethylamino)-2-methyl-3-[[4-(oxan-3-ylamino)pyrimidin-2-yl]amino]propan-2-ol

1-(dimethylamino)-2-methyl-3-[[4-(oxan-3-ylamino)pyrimidin-2-yl]amino]propan-2-ol (PubChem CID 128967102) has the molecular formula C15H27N5O2 and a molecular weight of 309.41 g/mol. Its IUPAC name is 1-(dimethylamino)-2-methyl-3-[[4-(oxan-3-ylamino)pyrimidin-2-yl]amino]propan-2-ol.

Molecular Properties

Compound Name1-(dimethylamino)-2-methyl-3-[[4-(oxan-3-ylamino)pyrimidin-2-yl]amino]propan-2-ol
PubChem CID128967102
Molecular FormulaC15H27N5O2
Molecular Weight309.41 g/mol
Exact Mass309.22
IUPAC Name1-(dimethylamino)-2-methyl-3-[[4-(oxan-3-ylamino)pyrimidin-2-yl]amino]propan-2-ol
SMILESCN(C)CC(C)(O)CNc1nccc(NC2CCCOC2)n1
InChIInChI=1S/C15H27N5O2/c1-15(21,11-20(2)3)10-17-14-16-7-6-13(19-14)18-12-5-4-8-22-9-12/h6-7,12,21H,4-5,8-11H2,1-3H3,(H2,16,17,18,19)
InChIKeyGKLRVOJHZPYXEV-UHFFFAOYSA-N
XLogP0.79
TPSA82.54 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.41
LogP ≤ 50.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 1-(dimethylamino)-2-methyl-3-[[4-(oxan-3-ylamino)pyrimidin-2-yl]amino]propan-2-ol with MolForge

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Related Compounds

N-(3-morpholin-4-ylpropyl)pyrimidin-4-amine
CID 61253199
4-[[2-(Butylamino)pyrimidin-4-yl]amino]cyclohexan-1-ol
CID 72793604
4-[(3R)-3-Aminopyrrolidin-1-yl]-N-(tetrahydro-2H-pyran-4-yl)pyrimidin-2-amine
CID 58227346
1-(1-Methoxypropan-2-yl)-1-methyl-3-(1-pyrimidin-2-ylpiperidin-4-yl)urea
CID 45831205
N~4~-ethyl-N~2~-(morpholin-2-ylmethyl)pyrimidine-2,4-diamine
CID 50969566
N~2~-{[4-(dimethylamino)tetrahydro-2H-pyran-4-yl]methyl}-N~4~-ethylpyrimidine-2,4-diamine
CID 50980405
N-[1-(2-propan-2-yloxyethyl)piperidin-4-yl]pyrimidin-2-amine
CID 71981393
N-[1-(morpholin-4-ylcarbonyl)piperidin-4-yl]pyrimidin-4-amine
CID 72876657
2-N,2-N,4-N-trimethyl-4-N-(oxan-4-yl)pyrimidine-2,4-diamine
CID 75423627
8-ethyl-N-pyrimidin-2-yl-1-oxa-8-azaspiro[4.5]decan-3-amine
CID 118739784
rac-(3R,4R)-N3-(pyrimidin-4-yl)oxane-3,4-diamine dihydrochloride
CID 132398603
rac-4-[(3R,4S)-3-amino-4-methoxypyrrolidin-1-yl]-N-methylpyrimidin-2-amine
CID 145874812

Frequently Asked Questions

What is the IUPAC name of 1-(dimethylamino)-2-methyl-3-[[4-(oxan-3-ylamino)pyrimidin-2-yl]amino]propan-2-ol?
The IUPAC name of 1-(dimethylamino)-2-methyl-3-[[4-(oxan-3-ylamino)pyrimidin-2-yl]amino]propan-2-ol (CID 128967102) is 1-(dimethylamino)-2-methyl-3-[[4-(oxan-3-ylamino)pyrimidin-2-yl]amino]propan-2-ol.
What is the SMILES notation for 1-(dimethylamino)-2-methyl-3-[[4-(oxan-3-ylamino)pyrimidin-2-yl]amino]propan-2-ol?
The canonical SMILES for 1-(dimethylamino)-2-methyl-3-[[4-(oxan-3-ylamino)pyrimidin-2-yl]amino]propan-2-ol is CN(C)CC(C)(O)CNc1nccc(NC2CCCOC2)n1.
What is the InChIKey of 1-(dimethylamino)-2-methyl-3-[[4-(oxan-3-ylamino)pyrimidin-2-yl]amino]propan-2-ol?
The InChIKey is GKLRVOJHZPYXEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N5O2/c1-15(21,11-20(2)3)10-17-14-16-7-6-13(19-14)18-12-5-4-8-22-9-12/h6-7,12,21H,4-5,8-11H2,1-3H3,(H2,16,17,18,19).
What are the key properties of 1-(dimethylamino)-2-methyl-3-[[4-(oxan-3-ylamino)pyrimidin-2-yl]amino]propan-2-ol?
1-(dimethylamino)-2-methyl-3-[[4-(oxan-3-ylamino)pyrimidin-2-yl]amino]propan-2-ol has a molecular weight of 309.41 g/mol, XLogP of 0.79, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(dimethylamino)-2-methyl-3-[[4-(oxan-3-ylamino)pyrimidin-2-yl]amino]propan-2-ol is sourced from PubChem (CID 128967102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).