5-fluoro-4-[2-methyl-3-(oxan-4-yl)imidazol-4-yl]-3-(oxan-4-yl)-4H-pyrimidin-2-amine

C18H26FN5O2 — CID 69042058

IUPAC5-fluoro-4-[2-methyl-3-(oxan-4-yl)imidazol-4-yl]-3-(oxan-4-yl)-4H-pyrimidin-2-amine
SMILESCc1ncc(C2C(F)=CN=C(N)N2C2CCOCC2)n1C1CCOCC1
InChIInChI=1S/C18H26FN5O2/c1-12-21-11-16(23(12)13-2-6-25-7-3-13)17-15(19)10-22-18(20)24(17)14-4-8-26-9-5-14/h10-11,13-14,17H,2-9H2,1H3,(H2,20,22)
InChIKeyXUNMSMMIHUYOIW-UHFFFAOYSA-N
MW363.44 g/mol
LogP2.20
Rot. Bonds3

About 5-fluoro-4-[2-methyl-3-(oxan-4-yl)imidazol-4-yl]-3-(oxan-4-yl)-4H-pyrimidin-2-amine

5-fluoro-4-[2-methyl-3-(oxan-4-yl)imidazol-4-yl]-3-(oxan-4-yl)-4H-pyrimidin-2-amine (PubChem CID 69042058) has the molecular formula C18H26FN5O2 and a molecular weight of 363.44 g/mol. Its IUPAC name is 5-fluoro-4-[2-methyl-3-(oxan-4-yl)imidazol-4-yl]-3-(oxan-4-yl)-4H-pyrimidin-2-amine.

Molecular Properties

Compound Name5-fluoro-4-[2-methyl-3-(oxan-4-yl)imidazol-4-yl]-3-(oxan-4-yl)-4H-pyrimidin-2-amine
PubChem CID69042058
Molecular FormulaC18H26FN5O2
Molecular Weight363.44 g/mol
Exact Mass363.21
IUPAC Name5-fluoro-4-[2-methyl-3-(oxan-4-yl)imidazol-4-yl]-3-(oxan-4-yl)-4H-pyrimidin-2-amine
SMILESCc1ncc(C2C(F)=CN=C(N)N2C2CCOCC2)n1C1CCOCC1
InChIInChI=1S/C18H26FN5O2/c1-12-21-11-16(23(12)13-2-6-25-7-3-13)17-15(19)10-22-18(20)24(17)14-4-8-26-9-5-14/h10-11,13-14,17H,2-9H2,1H3,(H2,20,22)
InChIKeyXUNMSMMIHUYOIW-UHFFFAOYSA-N
XLogP2.20
TPSA77.90 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.44
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 5-fluoro-4-[2-methyl-3-(oxan-4-yl)imidazol-4-yl]-3-(oxan-4-yl)-4H-pyrimidin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[2-methyl-3-(oxan-4-yl)imidazol-4-yl]pyrimidine
CID 141174270
(E)-3-(dimethylamino)-1-[2-methyl-3-(oxan-4-yl)imidazol-4-yl]prop-2-en-1-one
CID 16665723
6-methyl-3-(oxan-4-yl)imidazo[4,5-b]pyridin-2-amine
CID 79300760
4-[[[5-fluoro-4-[2-methyl-3-(oxan-4-yl)imidazol-4-yl]pyrimidin-2-yl]amino]methyl]benzamide
CID 91611103
5-methyl-1-(oxan-4-yl)pyrazol-4-amine
CID 69281503
5-methyl-1-(oxan-4-yl)pyrazol-4-amine;hydrochloride
CID 172907955
5-fluoro-4-[2-methyl-3-(oxan-4-yl)imidazol-4-yl]-N-[4-(morpholin-4-ylmethyl)phenyl]pyrimidin-2-amine
CID 16665251
4-[[5-fluoro-4-[2-methyl-3-(oxan-4-yl)imidazol-4-yl]pyrimidin-2-yl]amino]pyridin-1-ium-1-carbaldehyde
CID 59774766
5-(1-aminopropan-2-yl)-3-cyclopropyl-2-methylpyrimidin-4-one
CID 83883299
5-[8-methyl-2-morpholin-4-yl-9-(oxolan-3-yl)purin-6-yl]pyrimidin-2-amine
CID 25256167
2-chloro-5-fluoro-4-[3-(oxan-4-yl)-2-(trifluoromethyl)imidazol-4-yl]-1,4-dihydropyrimidine
CID 71665287
1-[5-[[5-fluoro-4-[2-methyl-3-(oxan-4-yl)imidazol-4-yl]pyrimidin-2-yl]amino]-3-pyridinyl]ethanone
CID 24803590

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-4-[2-methyl-3-(oxan-4-yl)imidazol-4-yl]-3-(oxan-4-yl)-4H-pyrimidin-2-amine?
The IUPAC name of 5-fluoro-4-[2-methyl-3-(oxan-4-yl)imidazol-4-yl]-3-(oxan-4-yl)-4H-pyrimidin-2-amine (CID 69042058) is 5-fluoro-4-[2-methyl-3-(oxan-4-yl)imidazol-4-yl]-3-(oxan-4-yl)-4H-pyrimidin-2-amine.
What is the SMILES notation for 5-fluoro-4-[2-methyl-3-(oxan-4-yl)imidazol-4-yl]-3-(oxan-4-yl)-4H-pyrimidin-2-amine?
The canonical SMILES for 5-fluoro-4-[2-methyl-3-(oxan-4-yl)imidazol-4-yl]-3-(oxan-4-yl)-4H-pyrimidin-2-amine is Cc1ncc(C2C(F)=CN=C(N)N2C2CCOCC2)n1C1CCOCC1.
What is the InChIKey of 5-fluoro-4-[2-methyl-3-(oxan-4-yl)imidazol-4-yl]-3-(oxan-4-yl)-4H-pyrimidin-2-amine?
The InChIKey is XUNMSMMIHUYOIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26FN5O2/c1-12-21-11-16(23(12)13-2-6-25-7-3-13)17-15(19)10-22-18(20)24(17)14-4-8-26-9-5-14/h10-11,13-14,17H,2-9H2,1H3,(H2,20,22).
What are the key properties of 5-fluoro-4-[2-methyl-3-(oxan-4-yl)imidazol-4-yl]-3-(oxan-4-yl)-4H-pyrimidin-2-amine?
5-fluoro-4-[2-methyl-3-(oxan-4-yl)imidazol-4-yl]-3-(oxan-4-yl)-4H-pyrimidin-2-amine has a molecular weight of 363.44 g/mol, XLogP of 2.20, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-4-[2-methyl-3-(oxan-4-yl)imidazol-4-yl]-3-(oxan-4-yl)-4H-pyrimidin-2-amine is sourced from PubChem (CID 69042058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).