5-(2-aminoethyl)-4-N-methyl-6-(oxan-4-yl)pyrimidine-2,4-diamine

C12H21N5O — CID 67096256

IUPAC5-(2-aminoethyl)-4-N-methyl-6-(oxan-4-yl)pyrimidine-2,4-diamine
SMILESCNc1nc(N)nc(C2CCOCC2)c1CCN
InChIInChI=1S/C12H21N5O/c1-15-11-9(2-5-13)10(16-12(14)17-11)8-3-6-18-7-4-8/h8H,2-7,13H2,1H3,(H3,14,15,16,17)
InChIKeyJXPQHJIVZOJITH-UHFFFAOYSA-N
MW251.33 g/mol
LogP0.50
Rot. Bonds4

About 5-(2-aminoethyl)-4-N-methyl-6-(oxan-4-yl)pyrimidine-2,4-diamine

5-(2-aminoethyl)-4-N-methyl-6-(oxan-4-yl)pyrimidine-2,4-diamine (PubChem CID 67096256) has the molecular formula C12H21N5O and a molecular weight of 251.33 g/mol. Its IUPAC name is 5-(2-aminoethyl)-4-N-methyl-6-(oxan-4-yl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-(2-aminoethyl)-4-N-methyl-6-(oxan-4-yl)pyrimidine-2,4-diamine
PubChem CID67096256
Molecular FormulaC12H21N5O
Molecular Weight251.33 g/mol
Exact Mass251.17
IUPAC Name5-(2-aminoethyl)-4-N-methyl-6-(oxan-4-yl)pyrimidine-2,4-diamine
SMILESCNc1nc(N)nc(C2CCOCC2)c1CCN
InChIInChI=1S/C12H21N5O/c1-15-11-9(2-5-13)10(16-12(14)17-11)8-3-6-18-7-4-8/h8H,2-7,13H2,1H3,(H3,14,15,16,17)
InChIKeyJXPQHJIVZOJITH-UHFFFAOYSA-N
XLogP0.50
TPSA99.08 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 50.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(2-aminoethyl)-4-N-methyl-6-(oxan-4-yl)pyrimidine-2,4-diamine?
The IUPAC name of 5-(2-aminoethyl)-4-N-methyl-6-(oxan-4-yl)pyrimidine-2,4-diamine (CID 67096256) is 5-(2-aminoethyl)-4-N-methyl-6-(oxan-4-yl)pyrimidine-2,4-diamine.
What is the SMILES notation for 5-(2-aminoethyl)-4-N-methyl-6-(oxan-4-yl)pyrimidine-2,4-diamine?
The canonical SMILES for 5-(2-aminoethyl)-4-N-methyl-6-(oxan-4-yl)pyrimidine-2,4-diamine is CNc1nc(N)nc(C2CCOCC2)c1CCN.
What is the InChIKey of 5-(2-aminoethyl)-4-N-methyl-6-(oxan-4-yl)pyrimidine-2,4-diamine?
The InChIKey is JXPQHJIVZOJITH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N5O/c1-15-11-9(2-5-13)10(16-12(14)17-11)8-3-6-18-7-4-8/h8H,2-7,13H2,1H3,(H3,14,15,16,17).
What are the key properties of 5-(2-aminoethyl)-4-N-methyl-6-(oxan-4-yl)pyrimidine-2,4-diamine?
5-(2-aminoethyl)-4-N-methyl-6-(oxan-4-yl)pyrimidine-2,4-diamine has a molecular weight of 251.33 g/mol, XLogP of 0.50, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-aminoethyl)-4-N-methyl-6-(oxan-4-yl)pyrimidine-2,4-diamine is sourced from PubChem (CID 67096256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).