5-N-[(4R)-1-(5-fluoropyrimidin-2-yl)azepan-4-yl]-2-N,2-N-dimethylpyridine-2,5-diamine

C17H23FN6 — CID 129333655

IUPAC5-N-[(4R)-1-(5-fluoropyrimidin-2-yl)azepan-4-yl]-2-N,2-N-dimethylpyridine-2,5-diamine
SMILESCN(C)c1ccc(N[C@@H]2CCCN(c3ncc(F)cn3)CC2)cn1
InChIInChI=1S/C17H23FN6/c1-23(2)16-6-5-15(12-19-16)22-14-4-3-8-24(9-7-14)17-20-10-13(18)11-21-17/h5-6,10-12,14,22H,3-4,7-9H2,1-2H3/t14-/m1/s1
InChIKeyGAHHJUCDBCGCQK-CQSZACIVSA-N
MW330.41 g/mol
LogP2.55
Rot. Bonds4

About 5-N-[(4R)-1-(5-fluoropyrimidin-2-yl)azepan-4-yl]-2-N,2-N-dimethylpyridine-2,5-diamine

5-N-[(4R)-1-(5-fluoropyrimidin-2-yl)azepan-4-yl]-2-N,2-N-dimethylpyridine-2,5-diamine (PubChem CID 129333655) has the molecular formula C17H23FN6 and a molecular weight of 330.41 g/mol. Its IUPAC name is 5-N-[(4R)-1-(5-fluoropyrimidin-2-yl)azepan-4-yl]-2-N,2-N-dimethylpyridine-2,5-diamine.

Molecular Properties

Compound Name5-N-[(4R)-1-(5-fluoropyrimidin-2-yl)azepan-4-yl]-2-N,2-N-dimethylpyridine-2,5-diamine
PubChem CID129333655
Molecular FormulaC17H23FN6
Molecular Weight330.41 g/mol
Exact Mass330.20
IUPAC Name5-N-[(4R)-1-(5-fluoropyrimidin-2-yl)azepan-4-yl]-2-N,2-N-dimethylpyridine-2,5-diamine
SMILESCN(C)c1ccc(N[C@@H]2CCCN(c3ncc(F)cn3)CC2)cn1
InChIInChI=1S/C17H23FN6/c1-23(2)16-6-5-15(12-19-16)22-14-4-3-8-24(9-7-14)17-20-10-13(18)11-21-17/h5-6,10-12,14,22H,3-4,7-9H2,1-2H3/t14-/m1/s1
InChIKeyGAHHJUCDBCGCQK-CQSZACIVSA-N
XLogP2.55
TPSA57.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.41
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 5-N-[(4R)-1-(5-fluoropyrimidin-2-yl)azepan-4-yl]-2-N,2-N-dimethylpyridine-2,5-diamine with MolForge

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Launch Full Analysis

Related Compounds

2-[(4R)-4-[[6-(dimethylamino)-3-pyridinyl]amino]azepan-1-yl]pyridine-3-carbonitrile
CID 129337104
2-N,2-N-dimethyl-5-N-(1-propan-2-ylpiperidin-4-yl)pyridine-2,5-diamine
CID 43690467
2-N,2-N-dimethyl-5-N-[(4R)-1-(tetrazolo[1,5-b]pyridazin-6-yl)azepan-4-yl]pyridine-2,5-diamine
CID 129332645
1-[(4R)-4-[[6-(dimethylamino)-3-pyridinyl]amino]azepan-1-yl]-2-(4-fluorophenoxy)ethanone
CID 124855086
[6-(dimethylamino)-3-pyridinyl]-[(4R)-4-[[6-(dimethylamino)-3-pyridinyl]amino]azepan-1-yl]methanone
CID 129343902
(4R)-N-cyclopropyl-4-[[6-(dimethylamino)-3-pyridinyl]amino]azepane-1-carboxamide
CID 129341635
5-N-(azepan-4-yl)-2-N,2-N-dimethylpyridine-2,5-diamine;trihydrochloride
CID 86775335
(4S)-N-(cyclopropylmethyl)-4-[[6-(dimethylamino)-3-pyridinyl]amino]azepane-1-carboxamide
CID 129330609
2-N,2-N-dimethyl-5-N-[(4S)-1-(1H-pyrazol-5-ylmethyl)azepan-4-yl]pyridine-2,5-diamine
CID 129343785
2-N,2-N-dimethyl-5-N-[(4R)-1-(1H-pyrazol-5-ylmethyl)azepan-4-yl]pyridine-2,5-diamine
CID 129343786
1-[(4R)-4-[[6-(dimethylamino)-3-pyridinyl]amino]azepan-1-yl]-2-thiophen-2-ylethanone
CID 129336174
[(4R)-4-[[6-(dimethylamino)-3-pyridinyl]amino]azepan-1-yl]-(5-methyl-1,3-oxazol-4-yl)methanone
CID 129339460

Frequently Asked Questions

What is the IUPAC name of 5-N-[(4R)-1-(5-fluoropyrimidin-2-yl)azepan-4-yl]-2-N,2-N-dimethylpyridine-2,5-diamine?
The IUPAC name of 5-N-[(4R)-1-(5-fluoropyrimidin-2-yl)azepan-4-yl]-2-N,2-N-dimethylpyridine-2,5-diamine (CID 129333655) is 5-N-[(4R)-1-(5-fluoropyrimidin-2-yl)azepan-4-yl]-2-N,2-N-dimethylpyridine-2,5-diamine.
What is the SMILES notation for 5-N-[(4R)-1-(5-fluoropyrimidin-2-yl)azepan-4-yl]-2-N,2-N-dimethylpyridine-2,5-diamine?
The canonical SMILES for 5-N-[(4R)-1-(5-fluoropyrimidin-2-yl)azepan-4-yl]-2-N,2-N-dimethylpyridine-2,5-diamine is CN(C)c1ccc(N[C@@H]2CCCN(c3ncc(F)cn3)CC2)cn1.
What is the InChIKey of 5-N-[(4R)-1-(5-fluoropyrimidin-2-yl)azepan-4-yl]-2-N,2-N-dimethylpyridine-2,5-diamine?
The InChIKey is GAHHJUCDBCGCQK-CQSZACIVSA-N. The full InChI is InChI=1S/C17H23FN6/c1-23(2)16-6-5-15(12-19-16)22-14-4-3-8-24(9-7-14)17-20-10-13(18)11-21-17/h5-6,10-12,14,22H,3-4,7-9H2,1-2H3/t14-/m1/s1.
What are the key properties of 5-N-[(4R)-1-(5-fluoropyrimidin-2-yl)azepan-4-yl]-2-N,2-N-dimethylpyridine-2,5-diamine?
5-N-[(4R)-1-(5-fluoropyrimidin-2-yl)azepan-4-yl]-2-N,2-N-dimethylpyridine-2,5-diamine has a molecular weight of 330.41 g/mol, XLogP of 2.55, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-[(4R)-1-(5-fluoropyrimidin-2-yl)azepan-4-yl]-2-N,2-N-dimethylpyridine-2,5-diamine is sourced from PubChem (CID 129333655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).