4-(aminomethyl)-N,6-dimethyl-N-(oxolan-3-yl)pyrimidin-2-amine

C11H18N4O — CID 107542183

IUPAC4-(aminomethyl)-N,6-dimethyl-N-(oxolan-3-yl)pyrimidin-2-amine
SMILESCc1cc(CN)nc(N(C)C2CCOC2)n1
InChIInChI=1S/C11H18N4O/c1-8-5-9(6-12)14-11(13-8)15(2)10-3-4-16-7-10/h5,10H,3-4,6-7,12H2,1-2H3
InChIKeyJRUTYFSOKIMGMI-UHFFFAOYSA-N
MW222.29 g/mol
LogP0.47
Rot. Bonds3

About 4-(aminomethyl)-N,6-dimethyl-N-(oxolan-3-yl)pyrimidin-2-amine

4-(aminomethyl)-N,6-dimethyl-N-(oxolan-3-yl)pyrimidin-2-amine (PubChem CID 107542183) has the molecular formula C11H18N4O and a molecular weight of 222.29 g/mol. Its IUPAC name is 4-(aminomethyl)-N,6-dimethyl-N-(oxolan-3-yl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-(aminomethyl)-N,6-dimethyl-N-(oxolan-3-yl)pyrimidin-2-amine
PubChem CID107542183
Molecular FormulaC11H18N4O
Molecular Weight222.29 g/mol
Exact Mass222.15
IUPAC Name4-(aminomethyl)-N,6-dimethyl-N-(oxolan-3-yl)pyrimidin-2-amine
SMILESCc1cc(CN)nc(N(C)C2CCOC2)n1
InChIInChI=1S/C11H18N4O/c1-8-5-9(6-12)14-11(13-8)15(2)10-3-4-16-7-10/h5,10H,3-4,6-7,12H2,1-2H3
InChIKeyJRUTYFSOKIMGMI-UHFFFAOYSA-N
XLogP0.47
TPSA64.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 50.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N,6-dimethyl-N-(oxolan-3-yl)pyrimidin-2-amine?
The IUPAC name of 4-(aminomethyl)-N,6-dimethyl-N-(oxolan-3-yl)pyrimidin-2-amine (CID 107542183) is 4-(aminomethyl)-N,6-dimethyl-N-(oxolan-3-yl)pyrimidin-2-amine.
What is the SMILES notation for 4-(aminomethyl)-N,6-dimethyl-N-(oxolan-3-yl)pyrimidin-2-amine?
The canonical SMILES for 4-(aminomethyl)-N,6-dimethyl-N-(oxolan-3-yl)pyrimidin-2-amine is Cc1cc(CN)nc(N(C)C2CCOC2)n1.
What is the InChIKey of 4-(aminomethyl)-N,6-dimethyl-N-(oxolan-3-yl)pyrimidin-2-amine?
The InChIKey is JRUTYFSOKIMGMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O/c1-8-5-9(6-12)14-11(13-8)15(2)10-3-4-16-7-10/h5,10H,3-4,6-7,12H2,1-2H3.
What are the key properties of 4-(aminomethyl)-N,6-dimethyl-N-(oxolan-3-yl)pyrimidin-2-amine?
4-(aminomethyl)-N,6-dimethyl-N-(oxolan-3-yl)pyrimidin-2-amine has a molecular weight of 222.29 g/mol, XLogP of 0.47, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N,6-dimethyl-N-(oxolan-3-yl)pyrimidin-2-amine is sourced from PubChem (CID 107542183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).