N-[(2,6-dimethyloxan-4-yl)methyl]-1-methyl-5,6-dihydro-4H-pyrimidin-2-amine

C13H25N3O — CID 122095903

IUPACN-[(2,6-dimethyloxan-4-yl)methyl]-1-methyl-5,6-dihydro-4H-pyrimidin-2-amine
SMILESCC1CC(CNC2=NCCCN2C)CC(C)O1
InChIInChI=1S/C13H25N3O/c1-10-7-12(8-11(2)17-10)9-15-13-14-5-4-6-16(13)3/h10-12H,4-9H2,1-3H3,(H,14,15)
InChIKeyUFSVFPNGXWMQQC-UHFFFAOYSA-N
MW239.36 g/mol
LogP1.47
Rot. Bonds2

About N-[(2,6-dimethyloxan-4-yl)methyl]-1-methyl-5,6-dihydro-4H-pyrimidin-2-amine

N-[(2,6-dimethyloxan-4-yl)methyl]-1-methyl-5,6-dihydro-4H-pyrimidin-2-amine (PubChem CID 122095903) has the molecular formula C13H25N3O and a molecular weight of 239.36 g/mol. Its IUPAC name is N-[(2,6-dimethyloxan-4-yl)methyl]-1-methyl-5,6-dihydro-4H-pyrimidin-2-amine.

Molecular Properties

Compound NameN-[(2,6-dimethyloxan-4-yl)methyl]-1-methyl-5,6-dihydro-4H-pyrimidin-2-amine
PubChem CID122095903
Molecular FormulaC13H25N3O
Molecular Weight239.36 g/mol
Exact Mass239.20
IUPAC NameN-[(2,6-dimethyloxan-4-yl)methyl]-1-methyl-5,6-dihydro-4H-pyrimidin-2-amine
SMILESCC1CC(CNC2=NCCCN2C)CC(C)O1
InChIInChI=1S/C13H25N3O/c1-10-7-12(8-11(2)17-10)9-15-13-14-5-4-6-16(13)3/h10-12H,4-9H2,1-3H3,(H,14,15)
InChIKeyUFSVFPNGXWMQQC-UHFFFAOYSA-N
XLogP1.47
TPSA36.86 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(2,6-dimethyloxan-4-yl)methyl]-1-methyl-5,6-dihydro-4H-pyrimidin-2-amine?
The IUPAC name of N-[(2,6-dimethyloxan-4-yl)methyl]-1-methyl-5,6-dihydro-4H-pyrimidin-2-amine (CID 122095903) is N-[(2,6-dimethyloxan-4-yl)methyl]-1-methyl-5,6-dihydro-4H-pyrimidin-2-amine.
What is the SMILES notation for N-[(2,6-dimethyloxan-4-yl)methyl]-1-methyl-5,6-dihydro-4H-pyrimidin-2-amine?
The canonical SMILES for N-[(2,6-dimethyloxan-4-yl)methyl]-1-methyl-5,6-dihydro-4H-pyrimidin-2-amine is CC1CC(CNC2=NCCCN2C)CC(C)O1.
What is the InChIKey of N-[(2,6-dimethyloxan-4-yl)methyl]-1-methyl-5,6-dihydro-4H-pyrimidin-2-amine?
The InChIKey is UFSVFPNGXWMQQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O/c1-10-7-12(8-11(2)17-10)9-15-13-14-5-4-6-16(13)3/h10-12H,4-9H2,1-3H3,(H,14,15).
What are the key properties of N-[(2,6-dimethyloxan-4-yl)methyl]-1-methyl-5,6-dihydro-4H-pyrimidin-2-amine?
N-[(2,6-dimethyloxan-4-yl)methyl]-1-methyl-5,6-dihydro-4H-pyrimidin-2-amine has a molecular weight of 239.36 g/mol, XLogP of 1.47, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,6-dimethyloxan-4-yl)methyl]-1-methyl-5,6-dihydro-4H-pyrimidin-2-amine is sourced from PubChem (CID 122095903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).