N,6-dimethyl-2-[[methyl(oxolan-3-yl)amino]methyl]pyrimidin-4-amine

C12H20N4O — CID 82743511

IUPACN,6-dimethyl-2-[[methyl(oxolan-3-yl)amino]methyl]pyrimidin-4-amine
SMILESCNc1cc(C)nc(CN(C)C2CCOC2)n1
InChIInChI=1S/C12H20N4O/c1-9-6-11(13-2)15-12(14-9)7-16(3)10-4-5-17-8-10/h6,10H,4-5,7-8H2,1-3H3,(H,13,14,15)
InChIKeyWOJCIQZVPKLBCP-UHFFFAOYSA-N
MW236.32 g/mol
LogP1.05
Rot. Bonds4

About N,6-dimethyl-2-[[methyl(oxolan-3-yl)amino]methyl]pyrimidin-4-amine

N,6-dimethyl-2-[[methyl(oxolan-3-yl)amino]methyl]pyrimidin-4-amine (PubChem CID 82743511) has the molecular formula C12H20N4O and a molecular weight of 236.32 g/mol. Its IUPAC name is N,6-dimethyl-2-[[methyl(oxolan-3-yl)amino]methyl]pyrimidin-4-amine.

Molecular Properties

Compound NameN,6-dimethyl-2-[[methyl(oxolan-3-yl)amino]methyl]pyrimidin-4-amine
PubChem CID82743511
Molecular FormulaC12H20N4O
Molecular Weight236.32 g/mol
Exact Mass236.16
IUPAC NameN,6-dimethyl-2-[[methyl(oxolan-3-yl)amino]methyl]pyrimidin-4-amine
SMILESCNc1cc(C)nc(CN(C)C2CCOC2)n1
InChIInChI=1S/C12H20N4O/c1-9-6-11(13-2)15-12(14-9)7-16(3)10-4-5-17-8-10/h6,10H,4-5,7-8H2,1-3H3,(H,13,14,15)
InChIKeyWOJCIQZVPKLBCP-UHFFFAOYSA-N
XLogP1.05
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 ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N,6-dimethyl-2-[[methyl(oxolan-3-yl)amino]methyl]pyrimidin-4-amine?
The IUPAC name of N,6-dimethyl-2-[[methyl(oxolan-3-yl)amino]methyl]pyrimidin-4-amine (CID 82743511) is N,6-dimethyl-2-[[methyl(oxolan-3-yl)amino]methyl]pyrimidin-4-amine.
What is the SMILES notation for N,6-dimethyl-2-[[methyl(oxolan-3-yl)amino]methyl]pyrimidin-4-amine?
The canonical SMILES for N,6-dimethyl-2-[[methyl(oxolan-3-yl)amino]methyl]pyrimidin-4-amine is CNc1cc(C)nc(CN(C)C2CCOC2)n1.
What is the InChIKey of N,6-dimethyl-2-[[methyl(oxolan-3-yl)amino]methyl]pyrimidin-4-amine?
The InChIKey is WOJCIQZVPKLBCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O/c1-9-6-11(13-2)15-12(14-9)7-16(3)10-4-5-17-8-10/h6,10H,4-5,7-8H2,1-3H3,(H,13,14,15).
What are the key properties of N,6-dimethyl-2-[[methyl(oxolan-3-yl)amino]methyl]pyrimidin-4-amine?
N,6-dimethyl-2-[[methyl(oxolan-3-yl)amino]methyl]pyrimidin-4-amine has a molecular weight of 236.32 g/mol, XLogP of 1.05, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,6-dimethyl-2-[[methyl(oxolan-3-yl)amino]methyl]pyrimidin-4-amine is sourced from PubChem (CID 82743511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).