5-ethyl-4-N-(3-methyloxan-3-yl)pyrimidine-4,6-diamine

C12H20N4O — CID 114114617

IUPAC5-ethyl-4-N-(3-methyloxan-3-yl)pyrimidine-4,6-diamine
SMILESCCc1c(N)ncnc1NC1(C)CCCOC1
InChIInChI=1S/C12H20N4O/c1-3-9-10(13)14-8-15-11(9)16-12(2)5-4-6-17-7-12/h8H,3-7H2,1-2H3,(H3,13,14,15,16)
InChIKeyHFXOJDWCJPGACS-UHFFFAOYSA-N
MW236.32 g/mol
LogP1.60
Rot. Bonds3

About 5-ethyl-4-N-(3-methyloxan-3-yl)pyrimidine-4,6-diamine

5-ethyl-4-N-(3-methyloxan-3-yl)pyrimidine-4,6-diamine (PubChem CID 114114617) has the molecular formula C12H20N4O and a molecular weight of 236.32 g/mol. Its IUPAC name is 5-ethyl-4-N-(3-methyloxan-3-yl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name5-ethyl-4-N-(3-methyloxan-3-yl)pyrimidine-4,6-diamine
PubChem CID114114617
Molecular FormulaC12H20N4O
Molecular Weight236.32 g/mol
Exact Mass236.16
IUPAC Name5-ethyl-4-N-(3-methyloxan-3-yl)pyrimidine-4,6-diamine
SMILESCCc1c(N)ncnc1NC1(C)CCCOC1
InChIInChI=1S/C12H20N4O/c1-3-9-10(13)14-8-15-11(9)16-12(2)5-4-6-17-7-12/h8H,3-7H2,1-2H3,(H3,13,14,15,16)
InChIKeyHFXOJDWCJPGACS-UHFFFAOYSA-N
XLogP1.60
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-N-ethyl-5-propan-2-yl-4-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidine-4,6-diamine
CID 80818937
5-ethyl-6-N-propyl-4-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidine-4,6-diamine
CID 80819387
6-N-ethyl-5-propyl-4-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidine-4,6-diamine
CID 80819792
5-propan-2-yl-4-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidine-4,6-diamine
CID 80845406
6-N,5-diethyl-4-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidine-4,6-diamine
CID 80845701
5-ethyl-6-N-methyl-4-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidine-4,6-diamine
CID 80845702
6-N-methyl-5-propyl-4-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidine-4,6-diamine
CID 80845775
6-N-methyl-5-propan-2-yl-4-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidine-4,6-diamine
CID 80845851
5-ethyl-4-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidine-4,6-diamine
CID 80846200
5-propyl-4-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidine-4,6-diamine
CID 80846286
2-N-ethyl-5-fluoro-4-N-(3-methyloxan-3-yl)pyrimidine-2,4-diamine
CID 105804596
5-fluoro-4-N-(3-methyloxan-3-yl)pyrimidine-2,4-diamine
CID 105804798

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-4-N-(3-methyloxan-3-yl)pyrimidine-4,6-diamine?
The IUPAC name of 5-ethyl-4-N-(3-methyloxan-3-yl)pyrimidine-4,6-diamine (CID 114114617) is 5-ethyl-4-N-(3-methyloxan-3-yl)pyrimidine-4,6-diamine.
What is the SMILES notation for 5-ethyl-4-N-(3-methyloxan-3-yl)pyrimidine-4,6-diamine?
The canonical SMILES for 5-ethyl-4-N-(3-methyloxan-3-yl)pyrimidine-4,6-diamine is CCc1c(N)ncnc1NC1(C)CCCOC1.
What is the InChIKey of 5-ethyl-4-N-(3-methyloxan-3-yl)pyrimidine-4,6-diamine?
The InChIKey is HFXOJDWCJPGACS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O/c1-3-9-10(13)14-8-15-11(9)16-12(2)5-4-6-17-7-12/h8H,3-7H2,1-2H3,(H3,13,14,15,16).
What are the key properties of 5-ethyl-4-N-(3-methyloxan-3-yl)pyrimidine-4,6-diamine?
5-ethyl-4-N-(3-methyloxan-3-yl)pyrimidine-4,6-diamine has a molecular weight of 236.32 g/mol, XLogP of 1.60, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-4-N-(3-methyloxan-3-yl)pyrimidine-4,6-diamine is sourced from PubChem (CID 114114617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).