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

C13H22N4O — CID 72883890

IUPACN-[[4-(dimethylamino)oxan-4-yl]methyl]-4-methylpyrimidin-2-amine
SMILESCc1ccnc(NCC2(N(C)C)CCOCC2)n1
InChIInChI=1S/C13H22N4O/c1-11-4-7-14-12(16-11)15-10-13(17(2)3)5-8-18-9-6-13/h4,7H,5-6,8-10H2,1-3H3,(H,14,15,16)
InChIKeyUBZYKANTQDGHJY-UHFFFAOYSA-N
MW250.35 g/mol
LogP1.31
Rot. Bonds4

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

N-[[4-(dimethylamino)oxan-4-yl]methyl]-4-methylpyrimidin-2-amine (PubChem CID 72883890) has the molecular formula C13H22N4O and a molecular weight of 250.35 g/mol. Its IUPAC name is N-[[4-(dimethylamino)oxan-4-yl]methyl]-4-methylpyrimidin-2-amine.

Molecular Properties

Compound NameN-[[4-(dimethylamino)oxan-4-yl]methyl]-4-methylpyrimidin-2-amine
PubChem CID72883890
Molecular FormulaC13H22N4O
Molecular Weight250.35 g/mol
Exact Mass250.18
IUPAC NameN-[[4-(dimethylamino)oxan-4-yl]methyl]-4-methylpyrimidin-2-amine
SMILESCc1ccnc(NCC2(N(C)C)CCOCC2)n1
InChIInChI=1S/C13H22N4O/c1-11-4-7-14-12(16-11)15-10-13(17(2)3)5-8-18-9-6-13/h4,7H,5-6,8-10H2,1-3H3,(H,14,15,16)
InChIKeyUBZYKANTQDGHJY-UHFFFAOYSA-N
XLogP1.31
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.35
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[4-(dimethylamino)oxan-4-yl]methyl]-4-methylpyrimidin-2-amine?
The IUPAC name of N-[[4-(dimethylamino)oxan-4-yl]methyl]-4-methylpyrimidin-2-amine (CID 72883890) is N-[[4-(dimethylamino)oxan-4-yl]methyl]-4-methylpyrimidin-2-amine.
What is the SMILES notation for N-[[4-(dimethylamino)oxan-4-yl]methyl]-4-methylpyrimidin-2-amine?
The canonical SMILES for N-[[4-(dimethylamino)oxan-4-yl]methyl]-4-methylpyrimidin-2-amine is Cc1ccnc(NCC2(N(C)C)CCOCC2)n1.
What is the InChIKey of N-[[4-(dimethylamino)oxan-4-yl]methyl]-4-methylpyrimidin-2-amine?
The InChIKey is UBZYKANTQDGHJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O/c1-11-4-7-14-12(16-11)15-10-13(17(2)3)5-8-18-9-6-13/h4,7H,5-6,8-10H2,1-3H3,(H,14,15,16).
What are the key properties of N-[[4-(dimethylamino)oxan-4-yl]methyl]-4-methylpyrimidin-2-amine?
N-[[4-(dimethylamino)oxan-4-yl]methyl]-4-methylpyrimidin-2-amine has a molecular weight of 250.35 g/mol, XLogP of 1.31, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(dimethylamino)oxan-4-yl]methyl]-4-methylpyrimidin-2-amine is sourced from PubChem (CID 72883890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).