6-N-ethyl-4-N-[(2-methyloxolan-2-yl)methyl]pyrimidine-4,6-diamine

C12H20N4O — CID 80854457

IUPAC6-N-ethyl-4-N-[(2-methyloxolan-2-yl)methyl]pyrimidine-4,6-diamine
SMILESCCNc1cc(NCC2(C)CCCO2)ncn1
InChIInChI=1S/C12H20N4O/c1-3-13-10-7-11(16-9-15-10)14-8-12(2)5-4-6-17-12/h7,9H,3-6,8H2,1-2H3,(H2,13,14,15,16)
InChIKeyJRMQTXUUVJWPCU-UHFFFAOYSA-N
MW236.32 g/mol
LogP1.89
Rot. Bonds5

About 6-N-ethyl-4-N-[(2-methyloxolan-2-yl)methyl]pyrimidine-4,6-diamine

6-N-ethyl-4-N-[(2-methyloxolan-2-yl)methyl]pyrimidine-4,6-diamine (PubChem CID 80854457) has the molecular formula C12H20N4O and a molecular weight of 236.32 g/mol. Its IUPAC name is 6-N-ethyl-4-N-[(2-methyloxolan-2-yl)methyl]pyrimidine-4,6-diamine.

Molecular Properties

Compound Name6-N-ethyl-4-N-[(2-methyloxolan-2-yl)methyl]pyrimidine-4,6-diamine
PubChem CID80854457
Molecular FormulaC12H20N4O
Molecular Weight236.32 g/mol
Exact Mass236.16
IUPAC Name6-N-ethyl-4-N-[(2-methyloxolan-2-yl)methyl]pyrimidine-4,6-diamine
SMILESCCNc1cc(NCC2(C)CCCO2)ncn1
InChIInChI=1S/C12H20N4O/c1-3-13-10-7-11(16-9-15-10)14-8-12(2)5-4-6-17-12/h7,9H,3-6,8H2,1-2H3,(H2,13,14,15,16)
InChIKeyJRMQTXUUVJWPCU-UHFFFAOYSA-N
XLogP1.89
TPSA59.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-N-ethyl-4-N-[(2-methyloxolan-2-yl)methyl]pyrimidine-4,6-diamine?
The IUPAC name of 6-N-ethyl-4-N-[(2-methyloxolan-2-yl)methyl]pyrimidine-4,6-diamine (CID 80854457) is 6-N-ethyl-4-N-[(2-methyloxolan-2-yl)methyl]pyrimidine-4,6-diamine.
What is the SMILES notation for 6-N-ethyl-4-N-[(2-methyloxolan-2-yl)methyl]pyrimidine-4,6-diamine?
The canonical SMILES for 6-N-ethyl-4-N-[(2-methyloxolan-2-yl)methyl]pyrimidine-4,6-diamine is CCNc1cc(NCC2(C)CCCO2)ncn1.
What is the InChIKey of 6-N-ethyl-4-N-[(2-methyloxolan-2-yl)methyl]pyrimidine-4,6-diamine?
The InChIKey is JRMQTXUUVJWPCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O/c1-3-13-10-7-11(16-9-15-10)14-8-12(2)5-4-6-17-12/h7,9H,3-6,8H2,1-2H3,(H2,13,14,15,16).
What are the key properties of 6-N-ethyl-4-N-[(2-methyloxolan-2-yl)methyl]pyrimidine-4,6-diamine?
6-N-ethyl-4-N-[(2-methyloxolan-2-yl)methyl]pyrimidine-4,6-diamine has a molecular weight of 236.32 g/mol, XLogP of 1.89, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-ethyl-4-N-[(2-methyloxolan-2-yl)methyl]pyrimidine-4,6-diamine is sourced from PubChem (CID 80854457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).