5-fluoro-4-N-(1,2-oxazol-5-ylmethyl)-2-N-propylpyrimidine-2,4-diamine

C11H14FN5O — CID 114187078

IUPAC5-fluoro-4-N-(1,2-oxazol-5-ylmethyl)-2-N-propylpyrimidine-2,4-diamine
SMILESCCCNc1ncc(F)c(NCc2ccno2)n1
InChIInChI=1S/C11H14FN5O/c1-2-4-13-11-15-7-9(12)10(17-11)14-6-8-3-5-16-18-8/h3,5,7H,2,4,6H2,1H3,(H2,13,14,15,17)
InChIKeySYIKQCGXKTWIEX-UHFFFAOYSA-N
MW251.26 g/mol
LogP2.04
Rot. Bonds6

About 5-fluoro-4-N-(1,2-oxazol-5-ylmethyl)-2-N-propylpyrimidine-2,4-diamine

5-fluoro-4-N-(1,2-oxazol-5-ylmethyl)-2-N-propylpyrimidine-2,4-diamine (PubChem CID 114187078) has the molecular formula C11H14FN5O and a molecular weight of 251.26 g/mol. Its IUPAC name is 5-fluoro-4-N-(1,2-oxazol-5-ylmethyl)-2-N-propylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-fluoro-4-N-(1,2-oxazol-5-ylmethyl)-2-N-propylpyrimidine-2,4-diamine
PubChem CID114187078
Molecular FormulaC11H14FN5O
Molecular Weight251.26 g/mol
Exact Mass251.12
IUPAC Name5-fluoro-4-N-(1,2-oxazol-5-ylmethyl)-2-N-propylpyrimidine-2,4-diamine
SMILESCCCNc1ncc(F)c(NCc2ccno2)n1
InChIInChI=1S/C11H14FN5O/c1-2-4-13-11-15-7-9(12)10(17-11)14-6-8-3-5-16-18-8/h3,5,7H,2,4,6H2,1H3,(H2,13,14,15,17)
InChIKeySYIKQCGXKTWIEX-UHFFFAOYSA-N
XLogP2.04
TPSA75.87 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.26
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(5-Methyl-isoxazol-3-yl)-2-(4-pyrimidin-2-yl-piperazin-1-yl)-acetamide
CID 6602524
N-(5-methyl-1,2-oxazol-3-yl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)propanamide
CID 42897604
N-(5-methyl-1,2-oxazol-3-yl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide
CID 645713
N-(5-methyl-1,2-oxazol-3-yl)-2-[4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]acetamide
CID 36627980
2-chloro-5-fluoro-N-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrimidin-4-amine
CID 79080638
5-fluoro-2-N-methyl-4-N-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrimidine-2,4-diamine
CID 80813361
2-N-ethyl-5-fluoro-4-N-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrimidine-2,4-diamine
CID 80813364
5-fluoro-4-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-2-N-propylpyrimidine-2,4-diamine
CID 80813447
5-fluoro-4-N-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrimidine-2,4-diamine
CID 80814167
6-ethyl-5-fluoro-N-(1,2-oxazol-5-ylmethyl)pyrimidin-4-amine
CID 103952365
5-fluoro-N-(1,2-oxazol-5-ylmethyl)pyrimidin-2-amine
CID 106418872
5-fluoro-6-methyl-N-(1,2-oxazol-5-ylmethyl)pyrimidin-4-amine
CID 106418986

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-4-N-(1,2-oxazol-5-ylmethyl)-2-N-propylpyrimidine-2,4-diamine?
The IUPAC name of 5-fluoro-4-N-(1,2-oxazol-5-ylmethyl)-2-N-propylpyrimidine-2,4-diamine (CID 114187078) is 5-fluoro-4-N-(1,2-oxazol-5-ylmethyl)-2-N-propylpyrimidine-2,4-diamine.
What is the SMILES notation for 5-fluoro-4-N-(1,2-oxazol-5-ylmethyl)-2-N-propylpyrimidine-2,4-diamine?
The canonical SMILES for 5-fluoro-4-N-(1,2-oxazol-5-ylmethyl)-2-N-propylpyrimidine-2,4-diamine is CCCNc1ncc(F)c(NCc2ccno2)n1.
What is the InChIKey of 5-fluoro-4-N-(1,2-oxazol-5-ylmethyl)-2-N-propylpyrimidine-2,4-diamine?
The InChIKey is SYIKQCGXKTWIEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FN5O/c1-2-4-13-11-15-7-9(12)10(17-11)14-6-8-3-5-16-18-8/h3,5,7H,2,4,6H2,1H3,(H2,13,14,15,17).
What are the key properties of 5-fluoro-4-N-(1,2-oxazol-5-ylmethyl)-2-N-propylpyrimidine-2,4-diamine?
5-fluoro-4-N-(1,2-oxazol-5-ylmethyl)-2-N-propylpyrimidine-2,4-diamine has a molecular weight of 251.26 g/mol, XLogP of 2.04, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-4-N-(1,2-oxazol-5-ylmethyl)-2-N-propylpyrimidine-2,4-diamine is sourced from PubChem (CID 114187078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).