4-N-[(2-ethyloxolan-3-yl)methyl]-5-methylpyrimidine-2,4-diamine

C12H20N4O — CID 114106998

IUPAC4-N-[(2-ethyloxolan-3-yl)methyl]-5-methylpyrimidine-2,4-diamine
SMILESCCC1OCCC1CNc1nc(N)ncc1C
InChIInChI=1S/C12H20N4O/c1-3-10-9(4-5-17-10)7-14-11-8(2)6-15-12(13)16-11/h6,9-10H,3-5,7H2,1-2H3,(H3,13,14,15,16)
InChIKeyGBQVMMPKCULTMD-UHFFFAOYSA-N
MW236.32 g/mol
LogP1.59
Rot. Bonds4

About 4-N-[(2-ethyloxolan-3-yl)methyl]-5-methylpyrimidine-2,4-diamine

4-N-[(2-ethyloxolan-3-yl)methyl]-5-methylpyrimidine-2,4-diamine (PubChem CID 114106998) has the molecular formula C12H20N4O and a molecular weight of 236.32 g/mol. Its IUPAC name is 4-N-[(2-ethyloxolan-3-yl)methyl]-5-methylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-[(2-ethyloxolan-3-yl)methyl]-5-methylpyrimidine-2,4-diamine
PubChem CID114106998
Molecular FormulaC12H20N4O
Molecular Weight236.32 g/mol
Exact Mass236.16
IUPAC Name4-N-[(2-ethyloxolan-3-yl)methyl]-5-methylpyrimidine-2,4-diamine
SMILESCCC1OCCC1CNc1nc(N)ncc1C
InChIInChI=1S/C12H20N4O/c1-3-10-9(4-5-17-10)7-14-11-8(2)6-15-12(13)16-11/h6,9-10H,3-5,7H2,1-2H3,(H3,13,14,15,16)
InChIKeyGBQVMMPKCULTMD-UHFFFAOYSA-N
XLogP1.59
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-N-[(2-ethyloxolan-3-yl)methyl]-5-methylpyrimidine-2,4-diamine?
The IUPAC name of 4-N-[(2-ethyloxolan-3-yl)methyl]-5-methylpyrimidine-2,4-diamine (CID 114106998) is 4-N-[(2-ethyloxolan-3-yl)methyl]-5-methylpyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-[(2-ethyloxolan-3-yl)methyl]-5-methylpyrimidine-2,4-diamine?
The canonical SMILES for 4-N-[(2-ethyloxolan-3-yl)methyl]-5-methylpyrimidine-2,4-diamine is CCC1OCCC1CNc1nc(N)ncc1C.
What is the InChIKey of 4-N-[(2-ethyloxolan-3-yl)methyl]-5-methylpyrimidine-2,4-diamine?
The InChIKey is GBQVMMPKCULTMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O/c1-3-10-9(4-5-17-10)7-14-11-8(2)6-15-12(13)16-11/h6,9-10H,3-5,7H2,1-2H3,(H3,13,14,15,16).
What are the key properties of 4-N-[(2-ethyloxolan-3-yl)methyl]-5-methylpyrimidine-2,4-diamine?
4-N-[(2-ethyloxolan-3-yl)methyl]-5-methylpyrimidine-2,4-diamine has a molecular weight of 236.32 g/mol, XLogP of 1.59, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[(2-ethyloxolan-3-yl)methyl]-5-methylpyrimidine-2,4-diamine is sourced from PubChem (CID 114106998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).