N,2-dimethyl-5-(methylaminomethyl)-N-(oxolan-3-yl)pyrimidin-4-amine

C12H20N4O — CID 114216480

IUPACN,2-dimethyl-5-(methylaminomethyl)-N-(oxolan-3-yl)pyrimidin-4-amine
SMILESCNCc1cnc(C)nc1N(C)C1CCOC1
InChIInChI=1S/C12H20N4O/c1-9-14-7-10(6-13-2)12(15-9)16(3)11-4-5-17-8-11/h7,11,13H,4-6,8H2,1-3H3
InChIKeyUVOCZKSZBQUBIM-UHFFFAOYSA-N
MW236.32 g/mol
LogP0.73
Rot. Bonds4

About N,2-dimethyl-5-(methylaminomethyl)-N-(oxolan-3-yl)pyrimidin-4-amine

N,2-dimethyl-5-(methylaminomethyl)-N-(oxolan-3-yl)pyrimidin-4-amine (PubChem CID 114216480) has the molecular formula C12H20N4O and a molecular weight of 236.32 g/mol. Its IUPAC name is N,2-dimethyl-5-(methylaminomethyl)-N-(oxolan-3-yl)pyrimidin-4-amine.

Molecular Properties

Compound NameN,2-dimethyl-5-(methylaminomethyl)-N-(oxolan-3-yl)pyrimidin-4-amine
PubChem CID114216480
Molecular FormulaC12H20N4O
Molecular Weight236.32 g/mol
Exact Mass236.16
IUPAC NameN,2-dimethyl-5-(methylaminomethyl)-N-(oxolan-3-yl)pyrimidin-4-amine
SMILESCNCc1cnc(C)nc1N(C)C1CCOC1
InChIInChI=1S/C12H20N4O/c1-9-14-7-10(6-13-2)12(15-9)16(3)11-4-5-17-8-11/h7,11,13H,4-6,8H2,1-3H3
InChIKeyUVOCZKSZBQUBIM-UHFFFAOYSA-N
XLogP0.73
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N,2-dimethyl-5-(methylaminomethyl)-N-(oxolan-3-yl)pyrimidin-4-amine?
The IUPAC name of N,2-dimethyl-5-(methylaminomethyl)-N-(oxolan-3-yl)pyrimidin-4-amine (CID 114216480) is N,2-dimethyl-5-(methylaminomethyl)-N-(oxolan-3-yl)pyrimidin-4-amine.
What is the SMILES notation for N,2-dimethyl-5-(methylaminomethyl)-N-(oxolan-3-yl)pyrimidin-4-amine?
The canonical SMILES for N,2-dimethyl-5-(methylaminomethyl)-N-(oxolan-3-yl)pyrimidin-4-amine is CNCc1cnc(C)nc1N(C)C1CCOC1.
What is the InChIKey of N,2-dimethyl-5-(methylaminomethyl)-N-(oxolan-3-yl)pyrimidin-4-amine?
The InChIKey is UVOCZKSZBQUBIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O/c1-9-14-7-10(6-13-2)12(15-9)16(3)11-4-5-17-8-11/h7,11,13H,4-6,8H2,1-3H3.
What are the key properties of N,2-dimethyl-5-(methylaminomethyl)-N-(oxolan-3-yl)pyrimidin-4-amine?
N,2-dimethyl-5-(methylaminomethyl)-N-(oxolan-3-yl)pyrimidin-4-amine has a molecular weight of 236.32 g/mol, XLogP of 0.73, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethyl-5-(methylaminomethyl)-N-(oxolan-3-yl)pyrimidin-4-amine is sourced from PubChem (CID 114216480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).