4-cyclobutyl-N-[[(2S)-1,4-dioxan-2-yl]methyl]-6-methylpyrimidin-2-amine

C14H21N3O2 — CID 95550593

IUPAC4-cyclobutyl-N-[[(2S)-1,4-dioxan-2-yl]methyl]-6-methylpyrimidin-2-amine
SMILESCc1cc(C2CCC2)nc(NC[C@H]2COCCO2)n1
InChIInChI=1S/C14H21N3O2/c1-10-7-13(11-3-2-4-11)17-14(16-10)15-8-12-9-18-5-6-19-12/h7,11-12H,2-6,8-9H2,1H3,(H,15,16,17)/t12-/m0/s1
InChIKeyWMMZXGKWLITHJZ-LBPRGKRZSA-N
MW263.34 g/mol
LogP1.88
Rot. Bonds4

About 4-cyclobutyl-N-[[(2S)-1,4-dioxan-2-yl]methyl]-6-methylpyrimidin-2-amine

4-cyclobutyl-N-[[(2S)-1,4-dioxan-2-yl]methyl]-6-methylpyrimidin-2-amine (PubChem CID 95550593) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is 4-cyclobutyl-N-[[(2S)-1,4-dioxan-2-yl]methyl]-6-methylpyrimidin-2-amine.

Molecular Properties

Compound Name4-cyclobutyl-N-[[(2S)-1,4-dioxan-2-yl]methyl]-6-methylpyrimidin-2-amine
PubChem CID95550593
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC Name4-cyclobutyl-N-[[(2S)-1,4-dioxan-2-yl]methyl]-6-methylpyrimidin-2-amine
SMILESCc1cc(C2CCC2)nc(NC[C@H]2COCCO2)n1
InChIInChI=1S/C14H21N3O2/c1-10-7-13(11-3-2-4-11)17-14(16-10)15-8-12-9-18-5-6-19-12/h7,11-12H,2-6,8-9H2,1H3,(H,15,16,17)/t12-/m0/s1
InChIKeyWMMZXGKWLITHJZ-LBPRGKRZSA-N
XLogP1.88
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-cyclobutyl-N-[[(2S)-1,4-dioxan-2-yl]methyl]-6-methylpyrimidin-2-amine?
The IUPAC name of 4-cyclobutyl-N-[[(2S)-1,4-dioxan-2-yl]methyl]-6-methylpyrimidin-2-amine (CID 95550593) is 4-cyclobutyl-N-[[(2S)-1,4-dioxan-2-yl]methyl]-6-methylpyrimidin-2-amine.
What is the SMILES notation for 4-cyclobutyl-N-[[(2S)-1,4-dioxan-2-yl]methyl]-6-methylpyrimidin-2-amine?
The canonical SMILES for 4-cyclobutyl-N-[[(2S)-1,4-dioxan-2-yl]methyl]-6-methylpyrimidin-2-amine is Cc1cc(C2CCC2)nc(NC[C@H]2COCCO2)n1.
What is the InChIKey of 4-cyclobutyl-N-[[(2S)-1,4-dioxan-2-yl]methyl]-6-methylpyrimidin-2-amine?
The InChIKey is WMMZXGKWLITHJZ-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H21N3O2/c1-10-7-13(11-3-2-4-11)17-14(16-10)15-8-12-9-18-5-6-19-12/h7,11-12H,2-6,8-9H2,1H3,(H,15,16,17)/t12-/m0/s1.
What are the key properties of 4-cyclobutyl-N-[[(2S)-1,4-dioxan-2-yl]methyl]-6-methylpyrimidin-2-amine?
4-cyclobutyl-N-[[(2S)-1,4-dioxan-2-yl]methyl]-6-methylpyrimidin-2-amine has a molecular weight of 263.34 g/mol, XLogP of 1.88, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclobutyl-N-[[(2S)-1,4-dioxan-2-yl]methyl]-6-methylpyrimidin-2-amine is sourced from PubChem (CID 95550593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).