1-[[[4-(dimethylamino)-5-fluoropyrimidin-2-yl]amino]methyl]cyclohexan-1-ol

C13H21FN4O — CID 72846043

IUPAC1-[[[4-(dimethylamino)-5-fluoropyrimidin-2-yl]amino]methyl]cyclohexan-1-ol
SMILESCN(C)c1nc(NCC2(O)CCCCC2)ncc1F
InChIInChI=1S/C13H21FN4O/c1-18(2)11-10(14)8-15-12(17-11)16-9-13(19)6-4-3-5-7-13/h8,19H,3-7,9H2,1-2H3,(H,15,16,17)
InChIKeyTVBKXWXGRPLXOH-UHFFFAOYSA-N
MW268.34 g/mol
LogP1.79
Rot. Bonds4

About 1-[[[4-(dimethylamino)-5-fluoropyrimidin-2-yl]amino]methyl]cyclohexan-1-ol

1-[[[4-(dimethylamino)-5-fluoropyrimidin-2-yl]amino]methyl]cyclohexan-1-ol (PubChem CID 72846043) has the molecular formula C13H21FN4O and a molecular weight of 268.34 g/mol. Its IUPAC name is 1-[[[4-(dimethylamino)-5-fluoropyrimidin-2-yl]amino]methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name1-[[[4-(dimethylamino)-5-fluoropyrimidin-2-yl]amino]methyl]cyclohexan-1-ol
PubChem CID72846043
Molecular FormulaC13H21FN4O
Molecular Weight268.34 g/mol
Exact Mass268.17
IUPAC Name1-[[[4-(dimethylamino)-5-fluoropyrimidin-2-yl]amino]methyl]cyclohexan-1-ol
SMILESCN(C)c1nc(NCC2(O)CCCCC2)ncc1F
InChIInChI=1S/C13H21FN4O/c1-18(2)11-10(14)8-15-12(17-11)16-9-13(19)6-4-3-5-7-13/h8,19H,3-7,9H2,1-2H3,(H,15,16,17)
InChIKeyTVBKXWXGRPLXOH-UHFFFAOYSA-N
XLogP1.79
TPSA61.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.34
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-[[[4-(dimethylamino)-5-fluoropyrimidin-2-yl]amino]methyl]cyclohexan-1-ol with MolForge

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Related Compounds

4-{[(5-Fluoro-2-pyrimidinyl)amino]methyl}-4-azepanol hydrochloride
CID 56888619
1-{2-[{[2-(Ethylamino)pyrimidin-5-yl]methyl}(methyl)amino]ethyl}cyclopentanol
CID 77083595
1-[[4-[(5-Bromopyrimidin-4-yl)amino]piperidin-1-yl]methyl]cyclohexan-1-ol
CID 99714830
1-{2-[(5-Fluoropyrimidin-2-yl)(methyl)amino]ethyl}cyclopentanol
CID 131902405
[trans-4-({[4-(Dimethylamino)-5-methylpyrimidin-2-yl]amino}methyl)cyclohexyl]methanol
CID 132425616
[3-[(5-Fluoro-4-pyrrolidin-1-ylpyrimidin-2-yl)amino]cyclohexyl]methanol
CID 171359701
1-((2-Chloro-5-fluoropyrimidin-4-ylamino)methyl)cyclohexanol
CID 79075802
(3S)-3-(2-chloro-5-fluoropyrimidin-4-ylamino)-1-methylcyclohexanol
CID 86667419
(1S,3S)-1-(aminomethyl)-3-(2-chloro-5-fluoropyrimidin-4-ylamino)cyclohexanol
CID 86667425
cis-(1S,3S)-3-[(2-chloro-5-fluoropyrimidin-4-yl)amino]-1-methylcyclohexan-1-ol
CID 87340467
3-[(2-Chloro-5-fluoropyrimidin-4-yl)amino]-1-methylcyclohexan-1-ol
CID 88589837
7-[(2-Chloro-5-fluoropyrimidin-4-yl)amino]-3-hydroxy-3-methylheptanenitrile
CID 91065503

Frequently Asked Questions

What is the IUPAC name of 1-[[[4-(dimethylamino)-5-fluoropyrimidin-2-yl]amino]methyl]cyclohexan-1-ol?
The IUPAC name of 1-[[[4-(dimethylamino)-5-fluoropyrimidin-2-yl]amino]methyl]cyclohexan-1-ol (CID 72846043) is 1-[[[4-(dimethylamino)-5-fluoropyrimidin-2-yl]amino]methyl]cyclohexan-1-ol.
What is the SMILES notation for 1-[[[4-(dimethylamino)-5-fluoropyrimidin-2-yl]amino]methyl]cyclohexan-1-ol?
The canonical SMILES for 1-[[[4-(dimethylamino)-5-fluoropyrimidin-2-yl]amino]methyl]cyclohexan-1-ol is CN(C)c1nc(NCC2(O)CCCCC2)ncc1F.
What is the InChIKey of 1-[[[4-(dimethylamino)-5-fluoropyrimidin-2-yl]amino]methyl]cyclohexan-1-ol?
The InChIKey is TVBKXWXGRPLXOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21FN4O/c1-18(2)11-10(14)8-15-12(17-11)16-9-13(19)6-4-3-5-7-13/h8,19H,3-7,9H2,1-2H3,(H,15,16,17).
What are the key properties of 1-[[[4-(dimethylamino)-5-fluoropyrimidin-2-yl]amino]methyl]cyclohexan-1-ol?
1-[[[4-(dimethylamino)-5-fluoropyrimidin-2-yl]amino]methyl]cyclohexan-1-ol has a molecular weight of 268.34 g/mol, XLogP of 1.79, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[[4-(dimethylamino)-5-fluoropyrimidin-2-yl]amino]methyl]cyclohexan-1-ol is sourced from PubChem (CID 72846043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).