5,6-dimethyl-4-N-(oxolan-3-yl)pyrimidine-2,4-diamine;ethane

C14H28N4O — CID 145495997

IUPAC5,6-dimethyl-4-N-(oxolan-3-yl)pyrimidine-2,4-diamine;ethane
SMILESCC.CC.Cc1nc(N)nc(NC2CCOC2)c1C
InChIInChI=1S/C10H16N4O.2C2H6/c1-6-7(2)12-10(11)14-9(6)13-8-3-4-15-5-8;2*1-2/h8H,3-5H2,1-2H3,(H3,11,12,13,14);2*1-2H3
InChIKeyNXCPAJJBQOGHAB-UHFFFAOYSA-N
MW268.40 g/mol
LogP2.93
Rot. Bonds2

About 5,6-dimethyl-4-N-(oxolan-3-yl)pyrimidine-2,4-diamine;ethane

5,6-dimethyl-4-N-(oxolan-3-yl)pyrimidine-2,4-diamine;ethane (PubChem CID 145495997) has the molecular formula C14H28N4O and a molecular weight of 268.40 g/mol. Its IUPAC name is 5,6-dimethyl-4-N-(oxolan-3-yl)pyrimidine-2,4-diamine;ethane.

Molecular Properties

Compound Name5,6-dimethyl-4-N-(oxolan-3-yl)pyrimidine-2,4-diamine;ethane
PubChem CID145495997
Molecular FormulaC14H28N4O
Molecular Weight268.40 g/mol
Exact Mass268.23
IUPAC Name5,6-dimethyl-4-N-(oxolan-3-yl)pyrimidine-2,4-diamine;ethane
SMILESCC.CC.Cc1nc(N)nc(NC2CCOC2)c1C
InChIInChI=1S/C10H16N4O.2C2H6/c1-6-7(2)12-10(11)14-9(6)13-8-3-4-15-5-8;2*1-2/h8H,3-5H2,1-2H3,(H3,11,12,13,14);2*1-2H3
InChIKeyNXCPAJJBQOGHAB-UHFFFAOYSA-N
XLogP2.93
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5,6-dimethyl-4-N-(oxolan-3-yl)pyrimidine-2,4-diamine;ethane?
The IUPAC name of 5,6-dimethyl-4-N-(oxolan-3-yl)pyrimidine-2,4-diamine;ethane (CID 145495997) is 5,6-dimethyl-4-N-(oxolan-3-yl)pyrimidine-2,4-diamine;ethane.
What is the SMILES notation for 5,6-dimethyl-4-N-(oxolan-3-yl)pyrimidine-2,4-diamine;ethane?
The canonical SMILES for 5,6-dimethyl-4-N-(oxolan-3-yl)pyrimidine-2,4-diamine;ethane is CC.CC.Cc1nc(N)nc(NC2CCOC2)c1C.
What is the InChIKey of 5,6-dimethyl-4-N-(oxolan-3-yl)pyrimidine-2,4-diamine;ethane?
The InChIKey is NXCPAJJBQOGHAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O.2C2H6/c1-6-7(2)12-10(11)14-9(6)13-8-3-4-15-5-8;2*1-2/h8H,3-5H2,1-2H3,(H3,11,12,13,14);2*1-2H3.
What are the key properties of 5,6-dimethyl-4-N-(oxolan-3-yl)pyrimidine-2,4-diamine;ethane?
5,6-dimethyl-4-N-(oxolan-3-yl)pyrimidine-2,4-diamine;ethane has a molecular weight of 268.40 g/mol, XLogP of 2.93, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethyl-4-N-(oxolan-3-yl)pyrimidine-2,4-diamine;ethane is sourced from PubChem (CID 145495997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).