5-fluoro-4-(2-methyl-3-propan-2-ylindazol-6-yl)pyrimidin-2-amine

C15H16FN5 — CID 176685842

IUPAC5-fluoro-4-(2-methyl-3-propan-2-ylindazol-6-yl)pyrimidin-2-amine
SMILESCC(C)c1c2ccc(-c3nc(N)ncc3F)cc2nn1C
InChIInChI=1S/C15H16FN5/c1-8(2)14-10-5-4-9(6-12(10)20-21(14)3)13-11(16)7-18-15(17)19-13/h4-8H,1-3H3,(H2,17,18,19)
InChIKeyMPECZOGTYSLAOT-UHFFFAOYSA-N
MW285.33 g/mol
LogP2.88
Rot. Bonds2

About 5-fluoro-4-(2-methyl-3-propan-2-ylindazol-6-yl)pyrimidin-2-amine

5-fluoro-4-(2-methyl-3-propan-2-ylindazol-6-yl)pyrimidin-2-amine (PubChem CID 176685842) has the molecular formula C15H16FN5 and a molecular weight of 285.33 g/mol. Its IUPAC name is 5-fluoro-4-(2-methyl-3-propan-2-ylindazol-6-yl)pyrimidin-2-amine.

Molecular Properties

Compound Name5-fluoro-4-(2-methyl-3-propan-2-ylindazol-6-yl)pyrimidin-2-amine
PubChem CID176685842
Molecular FormulaC15H16FN5
Molecular Weight285.33 g/mol
Exact Mass285.14
IUPAC Name5-fluoro-4-(2-methyl-3-propan-2-ylindazol-6-yl)pyrimidin-2-amine
SMILESCC(C)c1c2ccc(-c3nc(N)ncc3F)cc2nn1C
InChIInChI=1S/C15H16FN5/c1-8(2)14-10-5-4-9(6-12(10)20-21(14)3)13-11(16)7-18-15(17)19-13/h4-8H,1-3H3,(H2,17,18,19)
InChIKeyMPECZOGTYSLAOT-UHFFFAOYSA-N
XLogP2.88
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.33
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-fluoro-4-quinolin-7-ylpyrimidin-2-amine
CID 81221984
3-(4-amino-3-fluorophenyl)-1-methylpyrazolo[3,4-d]pyrimidin-6-amine
CID 68891998
5-fluoro-N-[5-[(4-methylpiperazin-1-yl)methyl]-2-pyridinyl]-4-(2-methyl-3-propan-2-ylindazol-5-yl)pyrimidin-2-amine
CID 154666451
N-[(1Z,3E)-5-(4-ethylpiperazin-1-yl)-4-methyl-1-(methylideneamino)penta-1,3-dienyl]-5-fluoro-4-(2-methyl-3-propan-2-ylindazol-5-yl)pyrimidin-2-amine
CID 167076398
5-fluoro-4-[3-(morpholin-4-ylmethyl)-4-propan-2-ylquinolin-6-yl]pyrimidin-2-amine
CID 176977004
4-(3-bromophenyl)-5-fluoropyrimidin-2-amine
CID 115504031
6-(2-methyl-3-propan-2-ylindazol-5-yl)pyrimidin-4-amine
CID 164521115
5-(2-bromo-5-fluoropyrimidin-4-yl)-2-methyl-3-propan-2-ylindazole;5-[(4-ethylpiperazin-1-yl)methyl]pyridin-2-amine;N-[5-[(4-ethylpiperazin-1-yl)methyl]-2-pyridinyl]-5-fluoro-4-(2-methyl-3-propan-2-ylindazol-5-yl)pyrimidin-2-amine;methane
CID 158300256
4-[3-fluoro-4-(trifluoromethyl)phenyl]-5-methylpyrimidin-2-amine
CID 107290505
2,5,6-trimethyl-3-propan-2-ylindazole
CID 165088488
3-[2-[[5-fluoro-4-(2-methyl-3-propan-2-ylindazol-5-yl)pyrimidin-2-yl]amino]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]cyclobutane-1-carboxamide
CID 135202580
3-[2-[[5-fluoro-4-(2-methyl-3-propan-2-ylindazol-5-yl)pyrimidin-2-yl]amino]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]cyclobutane-1-carboxylic acid
CID 135202541

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-4-(2-methyl-3-propan-2-ylindazol-6-yl)pyrimidin-2-amine?
The IUPAC name of 5-fluoro-4-(2-methyl-3-propan-2-ylindazol-6-yl)pyrimidin-2-amine (CID 176685842) is 5-fluoro-4-(2-methyl-3-propan-2-ylindazol-6-yl)pyrimidin-2-amine.
What is the SMILES notation for 5-fluoro-4-(2-methyl-3-propan-2-ylindazol-6-yl)pyrimidin-2-amine?
The canonical SMILES for 5-fluoro-4-(2-methyl-3-propan-2-ylindazol-6-yl)pyrimidin-2-amine is CC(C)c1c2ccc(-c3nc(N)ncc3F)cc2nn1C.
What is the InChIKey of 5-fluoro-4-(2-methyl-3-propan-2-ylindazol-6-yl)pyrimidin-2-amine?
The InChIKey is MPECZOGTYSLAOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FN5/c1-8(2)14-10-5-4-9(6-12(10)20-21(14)3)13-11(16)7-18-15(17)19-13/h4-8H,1-3H3,(H2,17,18,19).
What are the key properties of 5-fluoro-4-(2-methyl-3-propan-2-ylindazol-6-yl)pyrimidin-2-amine?
5-fluoro-4-(2-methyl-3-propan-2-ylindazol-6-yl)pyrimidin-2-amine has a molecular weight of 285.33 g/mol, XLogP of 2.88, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-4-(2-methyl-3-propan-2-ylindazol-6-yl)pyrimidin-2-amine is sourced from PubChem (CID 176685842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).