1-[(2-chloro-5-fluoropyrimidin-4-yl)amino]-3-(dimethylamino)-2-methylpropan-2-ol

C10H16ClFN4O — CID 106149404

IUPAC1-[(2-chloro-5-fluoropyrimidin-4-yl)amino]-3-(dimethylamino)-2-methylpropan-2-ol
SMILESCN(C)CC(C)(O)CNc1nc(Cl)ncc1F
InChIInChI=1S/C10H16ClFN4O/c1-10(17,6-16(2)3)5-14-8-7(12)4-13-9(11)15-8/h4,17H,5-6H2,1-3H3,(H,13,14,15)
InChIKeyNVKJMWFDVHNMOY-UHFFFAOYSA-N
MW262.72 g/mol
LogP0.99
Rot. Bonds5

About 1-[(2-chloro-5-fluoropyrimidin-4-yl)amino]-3-(dimethylamino)-2-methylpropan-2-ol

1-[(2-chloro-5-fluoropyrimidin-4-yl)amino]-3-(dimethylamino)-2-methylpropan-2-ol (PubChem CID 106149404) has the molecular formula C10H16ClFN4O and a molecular weight of 262.72 g/mol. Its IUPAC name is 1-[(2-chloro-5-fluoropyrimidin-4-yl)amino]-3-(dimethylamino)-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-[(2-chloro-5-fluoropyrimidin-4-yl)amino]-3-(dimethylamino)-2-methylpropan-2-ol
PubChem CID106149404
Molecular FormulaC10H16ClFN4O
Molecular Weight262.72 g/mol
Exact Mass262.10
IUPAC Name1-[(2-chloro-5-fluoropyrimidin-4-yl)amino]-3-(dimethylamino)-2-methylpropan-2-ol
SMILESCN(C)CC(C)(O)CNc1nc(Cl)ncc1F
InChIInChI=1S/C10H16ClFN4O/c1-10(17,6-16(2)3)5-14-8-7(12)4-13-9(11)15-8/h4,17H,5-6H2,1-3H3,(H,13,14,15)
InChIKeyNVKJMWFDVHNMOY-UHFFFAOYSA-N
XLogP0.99
TPSA61.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.72
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[(2-chloro-5-fluoropyrimidin-4-yl)amino]-3-(dimethylamino)-2-methylpropan-2-ol?
The IUPAC name of 1-[(2-chloro-5-fluoropyrimidin-4-yl)amino]-3-(dimethylamino)-2-methylpropan-2-ol (CID 106149404) is 1-[(2-chloro-5-fluoropyrimidin-4-yl)amino]-3-(dimethylamino)-2-methylpropan-2-ol.
What is the SMILES notation for 1-[(2-chloro-5-fluoropyrimidin-4-yl)amino]-3-(dimethylamino)-2-methylpropan-2-ol?
The canonical SMILES for 1-[(2-chloro-5-fluoropyrimidin-4-yl)amino]-3-(dimethylamino)-2-methylpropan-2-ol is CN(C)CC(C)(O)CNc1nc(Cl)ncc1F.
What is the InChIKey of 1-[(2-chloro-5-fluoropyrimidin-4-yl)amino]-3-(dimethylamino)-2-methylpropan-2-ol?
The InChIKey is NVKJMWFDVHNMOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16ClFN4O/c1-10(17,6-16(2)3)5-14-8-7(12)4-13-9(11)15-8/h4,17H,5-6H2,1-3H3,(H,13,14,15).
What are the key properties of 1-[(2-chloro-5-fluoropyrimidin-4-yl)amino]-3-(dimethylamino)-2-methylpropan-2-ol?
1-[(2-chloro-5-fluoropyrimidin-4-yl)amino]-3-(dimethylamino)-2-methylpropan-2-ol has a molecular weight of 262.72 g/mol, XLogP of 0.99, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-chloro-5-fluoropyrimidin-4-yl)amino]-3-(dimethylamino)-2-methylpropan-2-ol is sourced from PubChem (CID 106149404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).