4-(azepan-1-yl)-6-fluoropyrimidin-2-amine

C10H15FN4 — CID 676798

IUPAC4-(azepan-1-yl)-6-fluoropyrimidin-2-amine
SMILESNc1nc(F)cc(N2CCCCCC2)n1
InChIInChI=1S/C10H15FN4/c11-8-7-9(14-10(12)13-8)15-5-3-1-2-4-6-15/h7H,1-6H2,(H2,12,13,14)
InChIKeyDLLBXAJJFSSIAB-UHFFFAOYSA-N
MW210.26 g/mol
LogP1.58
Rot. Bonds1

About 4-(azepan-1-yl)-6-fluoropyrimidin-2-amine

4-(azepan-1-yl)-6-fluoropyrimidin-2-amine (PubChem CID 676798) has the molecular formula C10H15FN4 and a molecular weight of 210.26 g/mol. Its IUPAC name is 4-(azepan-1-yl)-6-fluoropyrimidin-2-amine.

Molecular Properties

Compound Name4-(azepan-1-yl)-6-fluoropyrimidin-2-amine
PubChem CID676798
Molecular FormulaC10H15FN4
Molecular Weight210.26 g/mol
Exact Mass210.13
IUPAC Name4-(azepan-1-yl)-6-fluoropyrimidin-2-amine
SMILESNc1nc(F)cc(N2CCCCCC2)n1
InChIInChI=1S/C10H15FN4/c11-8-7-9(14-10(12)13-8)15-5-3-1-2-4-6-15/h7H,1-6H2,(H2,12,13,14)
InChIKeyDLLBXAJJFSSIAB-UHFFFAOYSA-N
XLogP1.58
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.26
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,4-Diamino-6-piperidinopyrimidine
CID 606255
1-(6-Azetidin-1-yl-2-cyclopropylpyrimidin-4-yl)azepane
CID 44430472
1-(2-Cyclopropyl-6-(3-fluoroazetidin-1-yl)pyrimidin-4-yl)azepane
CID 44430474
N4-butyl-6-fluoropyrimidine-2,4-diamine
CID 2780461
4-N-butylpyrimidine-2,4,6-triamine
CID 80785316
2-(Piperidin-1-yl)pyrimidine-4,6-diamine
CID 16653160
Pyrimidine, 2-amino-4,6-bisdimethylamino-
CID 23366638
2,4-Difluoro-6-piperidinopyrimidine
CID 598527
4,6-Difluoro-2-piperidinopyrimidine
CID 608057
6-Fluoro-N~2~,N~2~,N~4~,N~4~-tetramethylpyrimidine-2,4-diamine
CID 22832109
6-Diethylamino-2,4-diaminopyrimidine
CID 54157511
4-Fluoro-6-(1-piperidinyl)-2-pyrimidinamine
CID 676639

Frequently Asked Questions

What is the IUPAC name of 4-(azepan-1-yl)-6-fluoropyrimidin-2-amine?
The IUPAC name of 4-(azepan-1-yl)-6-fluoropyrimidin-2-amine (CID 676798) is 4-(azepan-1-yl)-6-fluoropyrimidin-2-amine.
What is the SMILES notation for 4-(azepan-1-yl)-6-fluoropyrimidin-2-amine?
The canonical SMILES for 4-(azepan-1-yl)-6-fluoropyrimidin-2-amine is Nc1nc(F)cc(N2CCCCCC2)n1.
What is the InChIKey of 4-(azepan-1-yl)-6-fluoropyrimidin-2-amine?
The InChIKey is DLLBXAJJFSSIAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15FN4/c11-8-7-9(14-10(12)13-8)15-5-3-1-2-4-6-15/h7H,1-6H2,(H2,12,13,14).
What are the key properties of 4-(azepan-1-yl)-6-fluoropyrimidin-2-amine?
4-(azepan-1-yl)-6-fluoropyrimidin-2-amine has a molecular weight of 210.26 g/mol, XLogP of 1.58, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(azepan-1-yl)-6-fluoropyrimidin-2-amine is sourced from PubChem (CID 676798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).