3-[[2-chloro-4-(dimethylamino)pyrimido[5,4-d]pyrimidin-6-yl]amino]-1,1,1-trifluoropropan-2-ol

C11H12ClF3N6O — CID 134520399

IUPAC3-[[2-chloro-4-(dimethylamino)pyrimido[5,4-d]pyrimidin-6-yl]amino]-1,1,1-trifluoropropan-2-ol
SMILESCN(C)c1nc(Cl)nc2cnc(NCC(O)C(F)(F)F)nc12
InChIInChI=1S/C11H12ClF3N6O/c1-21(2)8-7-5(18-9(12)20-8)3-16-10(19-7)17-4-6(22)11(13,14)15/h3,6,22H,4H2,1-2H3,(H,16,17,19)
InChIKeyORPVQIAUZNTYHV-UHFFFAOYSA-N
MW336.71 g/mol
LogP1.47
Rot. Bonds4

About 3-[[2-chloro-4-(dimethylamino)pyrimido[5,4-d]pyrimidin-6-yl]amino]-1,1,1-trifluoropropan-2-ol

3-[[2-chloro-4-(dimethylamino)pyrimido[5,4-d]pyrimidin-6-yl]amino]-1,1,1-trifluoropropan-2-ol (PubChem CID 134520399) has the molecular formula C11H12ClF3N6O and a molecular weight of 336.71 g/mol. Its IUPAC name is 3-[[2-chloro-4-(dimethylamino)pyrimido[5,4-d]pyrimidin-6-yl]amino]-1,1,1-trifluoropropan-2-ol.

Molecular Properties

Compound Name3-[[2-chloro-4-(dimethylamino)pyrimido[5,4-d]pyrimidin-6-yl]amino]-1,1,1-trifluoropropan-2-ol
PubChem CID134520399
Molecular FormulaC11H12ClF3N6O
Molecular Weight336.71 g/mol
Exact Mass336.07
IUPAC Name3-[[2-chloro-4-(dimethylamino)pyrimido[5,4-d]pyrimidin-6-yl]amino]-1,1,1-trifluoropropan-2-ol
SMILESCN(C)c1nc(Cl)nc2cnc(NCC(O)C(F)(F)F)nc12
InChIInChI=1S/C11H12ClF3N6O/c1-21(2)8-7-5(18-9(12)20-8)3-16-10(19-7)17-4-6(22)11(13,14)15/h3,6,22H,4H2,1-2H3,(H,16,17,19)
InChIKeyORPVQIAUZNTYHV-UHFFFAOYSA-N
XLogP1.47
TPSA87.06 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.71
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 3-[[2-chloro-4-(dimethylamino)pyrimido[5,4-d]pyrimidin-6-yl]amino]-1,1,1-trifluoropropan-2-ol with MolForge

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Related Compounds

1-[[4-(dimethylamino)-2-(ethylamino)pyrimido[5,4-d]pyrimidin-6-yl]amino]butan-2-ol
CID 134520106
3-[[4-(dimethylamino)-2-(propylamino)pyrimido[5,4-d]pyrimidin-6-yl]amino]butan-2-ol;hydrochloride
CID 134520531
2-[[4-(dimethylamino)-2-(prop-2-enylamino)pyrimido[5,4-d]pyrimidin-6-yl]amino]ethanol
CID 134520169
(2S)-1-(dimethylamino)-3-[[4-(dimethylamino)-5-fluoropyrimidin-2-yl]amino]propan-2-ol
CID 125441184
1,1,1-trifluoro-3-[(5-nitropyrimidin-2-yl)amino]propan-2-ol
CID 113434396
3-[(5,7-dichloro-2,1,3-benzothiadiazol-4-yl)amino]-1,1,1-trifluoropropan-2-ol
CID 65473888
1-[[4-(dimethylamino)-2-(propylamino)pyrimido[5,4-d]pyrimidin-6-yl]-methylamino]-2-methylpropan-2-ol
CID 134520296
1,1,1-trifluoro-3-[(6-methoxy-3-pyridinyl)amino]propan-2-ol
CID 63901251
(2S)-1-[(5-chloropyrimidin-2-yl)amino]butan-2-ol
CID 130680092
4-chloro-2-methyl-5-[(3,3,3-trifluoro-2-hydroxypropyl)amino]pyridazin-3-one
CID 113222234
2-[(5-chloro-2-pyridinyl)-methylamino]-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide
CID 103755798
3-[[6-chloro-2-(methoxymethyl)pyrimidin-4-yl]amino]-1,1,1-trifluoropropan-2-ol
CID 114093885

Frequently Asked Questions

What is the IUPAC name of 3-[[2-chloro-4-(dimethylamino)pyrimido[5,4-d]pyrimidin-6-yl]amino]-1,1,1-trifluoropropan-2-ol?
The IUPAC name of 3-[[2-chloro-4-(dimethylamino)pyrimido[5,4-d]pyrimidin-6-yl]amino]-1,1,1-trifluoropropan-2-ol (CID 134520399) is 3-[[2-chloro-4-(dimethylamino)pyrimido[5,4-d]pyrimidin-6-yl]amino]-1,1,1-trifluoropropan-2-ol.
What is the SMILES notation for 3-[[2-chloro-4-(dimethylamino)pyrimido[5,4-d]pyrimidin-6-yl]amino]-1,1,1-trifluoropropan-2-ol?
The canonical SMILES for 3-[[2-chloro-4-(dimethylamino)pyrimido[5,4-d]pyrimidin-6-yl]amino]-1,1,1-trifluoropropan-2-ol is CN(C)c1nc(Cl)nc2cnc(NCC(O)C(F)(F)F)nc12.
What is the InChIKey of 3-[[2-chloro-4-(dimethylamino)pyrimido[5,4-d]pyrimidin-6-yl]amino]-1,1,1-trifluoropropan-2-ol?
The InChIKey is ORPVQIAUZNTYHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClF3N6O/c1-21(2)8-7-5(18-9(12)20-8)3-16-10(19-7)17-4-6(22)11(13,14)15/h3,6,22H,4H2,1-2H3,(H,16,17,19).
What are the key properties of 3-[[2-chloro-4-(dimethylamino)pyrimido[5,4-d]pyrimidin-6-yl]amino]-1,1,1-trifluoropropan-2-ol?
3-[[2-chloro-4-(dimethylamino)pyrimido[5,4-d]pyrimidin-6-yl]amino]-1,1,1-trifluoropropan-2-ol has a molecular weight of 336.71 g/mol, XLogP of 1.47, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-chloro-4-(dimethylamino)pyrimido[5,4-d]pyrimidin-6-yl]amino]-1,1,1-trifluoropropan-2-ol is sourced from PubChem (CID 134520399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).