4-cyclopentyl-N-[[4-(dimethylamino)oxan-4-yl]methyl]pyrimidin-2-amine

C17H28N4O — CID 56861947

IUPAC4-cyclopentyl-N-[[4-(dimethylamino)oxan-4-yl]methyl]pyrimidin-2-amine
SMILESCN(C)C1(CNc2nccc(C3CCCC3)n2)CCOCC1
InChIInChI=1S/C17H28N4O/c1-21(2)17(8-11-22-12-9-17)13-19-16-18-10-7-15(20-16)14-5-3-4-6-14/h7,10,14H,3-6,8-9,11-13H2,1-2H3,(H,18,19,20)
InChIKeyQZBDSDHHHZDHBI-UHFFFAOYSA-N
MW304.44 g/mol
LogP2.66
Rot. Bonds5

About 4-cyclopentyl-N-[[4-(dimethylamino)oxan-4-yl]methyl]pyrimidin-2-amine

4-cyclopentyl-N-[[4-(dimethylamino)oxan-4-yl]methyl]pyrimidin-2-amine (PubChem CID 56861947) has the molecular formula C17H28N4O and a molecular weight of 304.44 g/mol. Its IUPAC name is 4-cyclopentyl-N-[[4-(dimethylamino)oxan-4-yl]methyl]pyrimidin-2-amine.

Molecular Properties

Compound Name4-cyclopentyl-N-[[4-(dimethylamino)oxan-4-yl]methyl]pyrimidin-2-amine
PubChem CID56861947
Molecular FormulaC17H28N4O
Molecular Weight304.44 g/mol
Exact Mass304.23
IUPAC Name4-cyclopentyl-N-[[4-(dimethylamino)oxan-4-yl]methyl]pyrimidin-2-amine
SMILESCN(C)C1(CNc2nccc(C3CCCC3)n2)CCOCC1
InChIInChI=1S/C17H28N4O/c1-21(2)17(8-11-22-12-9-17)13-19-16-18-10-7-15(20-16)14-5-3-4-6-14/h7,10,14H,3-6,8-9,11-13H2,1-2H3,(H,18,19,20)
InChIKeyQZBDSDHHHZDHBI-UHFFFAOYSA-N
XLogP2.66
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.44
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-cyclopentyl-N-[[4-(dimethylamino)oxan-4-yl]methyl]pyrimidin-2-amine?
The IUPAC name of 4-cyclopentyl-N-[[4-(dimethylamino)oxan-4-yl]methyl]pyrimidin-2-amine (CID 56861947) is 4-cyclopentyl-N-[[4-(dimethylamino)oxan-4-yl]methyl]pyrimidin-2-amine.
What is the SMILES notation for 4-cyclopentyl-N-[[4-(dimethylamino)oxan-4-yl]methyl]pyrimidin-2-amine?
The canonical SMILES for 4-cyclopentyl-N-[[4-(dimethylamino)oxan-4-yl]methyl]pyrimidin-2-amine is CN(C)C1(CNc2nccc(C3CCCC3)n2)CCOCC1.
What is the InChIKey of 4-cyclopentyl-N-[[4-(dimethylamino)oxan-4-yl]methyl]pyrimidin-2-amine?
The InChIKey is QZBDSDHHHZDHBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4O/c1-21(2)17(8-11-22-12-9-17)13-19-16-18-10-7-15(20-16)14-5-3-4-6-14/h7,10,14H,3-6,8-9,11-13H2,1-2H3,(H,18,19,20).
What are the key properties of 4-cyclopentyl-N-[[4-(dimethylamino)oxan-4-yl]methyl]pyrimidin-2-amine?
4-cyclopentyl-N-[[4-(dimethylamino)oxan-4-yl]methyl]pyrimidin-2-amine has a molecular weight of 304.44 g/mol, XLogP of 2.66, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopentyl-N-[[4-(dimethylamino)oxan-4-yl]methyl]pyrimidin-2-amine is sourced from PubChem (CID 56861947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).