5-fluoro-N-methyl-4-(4-propan-2-yloxypyrazol-1-yl)pyrimidin-2-amine

C11H14FN5O — CID 114274084

IUPAC5-fluoro-N-methyl-4-(4-propan-2-yloxypyrazol-1-yl)pyrimidin-2-amine
SMILESCNc1ncc(F)c(-n2cc(OC(C)C)cn2)n1
InChIInChI=1S/C11H14FN5O/c1-7(2)18-8-4-15-17(6-8)10-9(12)5-14-11(13-3)16-10/h4-7H,1-3H3,(H,13,14,16)
InChIKeyBSJNLFTVVYOZGJ-UHFFFAOYSA-N
MW251.26 g/mol
LogP1.63
Rot. Bonds4

About 5-fluoro-N-methyl-4-(4-propan-2-yloxypyrazol-1-yl)pyrimidin-2-amine

5-fluoro-N-methyl-4-(4-propan-2-yloxypyrazol-1-yl)pyrimidin-2-amine (PubChem CID 114274084) has the molecular formula C11H14FN5O and a molecular weight of 251.26 g/mol. Its IUPAC name is 5-fluoro-N-methyl-4-(4-propan-2-yloxypyrazol-1-yl)pyrimidin-2-amine.

Molecular Properties

Compound Name5-fluoro-N-methyl-4-(4-propan-2-yloxypyrazol-1-yl)pyrimidin-2-amine
PubChem CID114274084
Molecular FormulaC11H14FN5O
Molecular Weight251.26 g/mol
Exact Mass251.12
IUPAC Name5-fluoro-N-methyl-4-(4-propan-2-yloxypyrazol-1-yl)pyrimidin-2-amine
SMILESCNc1ncc(F)c(-n2cc(OC(C)C)cn2)n1
InChIInChI=1S/C11H14FN5O/c1-7(2)18-8-4-15-17(6-8)10-9(12)5-14-11(13-3)16-10/h4-7H,1-3H3,(H,13,14,16)
InChIKeyBSJNLFTVVYOZGJ-UHFFFAOYSA-N
XLogP1.63
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.26
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-N-butyl-5-[(1-methylpyrazol-4-yl)methoxy]pyrimidine-2,4-diamine
CID 155522696
5-Fluoro-2-[2-[2-(2-methyl-4-propan-2-yloxypyrazol-2-ium-1-yl)-1-methylsulfanylethoxy]ethyl]pyrimidine
CID 156043057
1-[2-[5-(2,2-Difluoroethoxy)pyrimidin-2-yl]-1,2,4-triazol-3-yl]ethanamine
CID 166568006
2-(4-Fluoropyrazol-1-yl)-5-methoxypyrimidine
CID 169574962
6-(2,2-Difluoroethoxy)-3-iodopyrazolo[1,5-a]pyrimidine
CID 171505657
(11R)-14-chloro-5,11-dimethyl-8-oxa-2,4,5,12,16,17-hexazatricyclo[11.3.1.03,7]heptadeca-1(16),3,6,13(17),14-pentaene
CID 170397501
N-ethyl-5-methoxy-6-[4-(trifluoromethyl)pyrazol-1-yl]pyrimidin-4-amine
CID 81725500
5-Methoxy-6-[4-(trifluoromethyl)pyrazol-1-yl]pyrimidin-4-amine
CID 81725577
5-methoxy-N-methyl-6-[4-(trifluoromethyl)pyrazol-1-yl]pyrimidin-4-amine
CID 81725654
[5-Methoxy-6-[4-(trifluoromethyl)pyrazol-1-yl]pyrimidin-4-yl]hydrazine
CID 81733250
5-methoxy-N-propyl-6-[4-(trifluoromethyl)pyrazol-1-yl]pyrimidin-4-amine
CID 81733751
N-ethyl-4-(1-ethylpyrazol-4-yl)oxy-5-fluoropyrimidin-2-amine
CID 113566438

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-N-methyl-4-(4-propan-2-yloxypyrazol-1-yl)pyrimidin-2-amine?
The IUPAC name of 5-fluoro-N-methyl-4-(4-propan-2-yloxypyrazol-1-yl)pyrimidin-2-amine (CID 114274084) is 5-fluoro-N-methyl-4-(4-propan-2-yloxypyrazol-1-yl)pyrimidin-2-amine.
What is the SMILES notation for 5-fluoro-N-methyl-4-(4-propan-2-yloxypyrazol-1-yl)pyrimidin-2-amine?
The canonical SMILES for 5-fluoro-N-methyl-4-(4-propan-2-yloxypyrazol-1-yl)pyrimidin-2-amine is CNc1ncc(F)c(-n2cc(OC(C)C)cn2)n1.
What is the InChIKey of 5-fluoro-N-methyl-4-(4-propan-2-yloxypyrazol-1-yl)pyrimidin-2-amine?
The InChIKey is BSJNLFTVVYOZGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FN5O/c1-7(2)18-8-4-15-17(6-8)10-9(12)5-14-11(13-3)16-10/h4-7H,1-3H3,(H,13,14,16).
What are the key properties of 5-fluoro-N-methyl-4-(4-propan-2-yloxypyrazol-1-yl)pyrimidin-2-amine?
5-fluoro-N-methyl-4-(4-propan-2-yloxypyrazol-1-yl)pyrimidin-2-amine has a molecular weight of 251.26 g/mol, XLogP of 1.63, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-N-methyl-4-(4-propan-2-yloxypyrazol-1-yl)pyrimidin-2-amine is sourced from PubChem (CID 114274084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).