4-N-(2-aminoethyl)-4-N-methyl-6-(oxolan-3-yl)pyrimidine-2,4-diamine

C11H19N5O — CID 53378714

IUPAC4-N-(2-aminoethyl)-4-N-methyl-6-(oxolan-3-yl)pyrimidine-2,4-diamine
SMILESCN(CCN)c1cc(C2CCOC2)nc(N)n1
InChIInChI=1S/C11H19N5O/c1-16(4-3-12)10-6-9(14-11(13)15-10)8-2-5-17-7-8/h6,8H,2-5,7,12H2,1H3,(H2,13,14,15)
InChIKeyAOGIFNGKMVHLCV-UHFFFAOYSA-N
MW237.31 g/mol
LogP-0.04
Rot. Bonds4

About 4-N-(2-aminoethyl)-4-N-methyl-6-(oxolan-3-yl)pyrimidine-2,4-diamine

4-N-(2-aminoethyl)-4-N-methyl-6-(oxolan-3-yl)pyrimidine-2,4-diamine (PubChem CID 53378714) has the molecular formula C11H19N5O and a molecular weight of 237.31 g/mol. Its IUPAC name is 4-N-(2-aminoethyl)-4-N-methyl-6-(oxolan-3-yl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-(2-aminoethyl)-4-N-methyl-6-(oxolan-3-yl)pyrimidine-2,4-diamine
PubChem CID53378714
Molecular FormulaC11H19N5O
Molecular Weight237.31 g/mol
Exact Mass237.16
IUPAC Name4-N-(2-aminoethyl)-4-N-methyl-6-(oxolan-3-yl)pyrimidine-2,4-diamine
SMILESCN(CCN)c1cc(C2CCOC2)nc(N)n1
InChIInChI=1S/C11H19N5O/c1-16(4-3-12)10-6-9(14-11(13)15-10)8-2-5-17-7-8/h6,8H,2-5,7,12H2,1H3,(H2,13,14,15)
InChIKeyAOGIFNGKMVHLCV-UHFFFAOYSA-N
XLogP-0.04
TPSA90.29 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.31
LogP ≤ 5-0.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-N-(2-aminoethyl)-4-N-methyl-6-(oxolan-3-yl)pyrimidine-2,4-diamine?
The IUPAC name of 4-N-(2-aminoethyl)-4-N-methyl-6-(oxolan-3-yl)pyrimidine-2,4-diamine (CID 53378714) is 4-N-(2-aminoethyl)-4-N-methyl-6-(oxolan-3-yl)pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-(2-aminoethyl)-4-N-methyl-6-(oxolan-3-yl)pyrimidine-2,4-diamine?
The canonical SMILES for 4-N-(2-aminoethyl)-4-N-methyl-6-(oxolan-3-yl)pyrimidine-2,4-diamine is CN(CCN)c1cc(C2CCOC2)nc(N)n1.
What is the InChIKey of 4-N-(2-aminoethyl)-4-N-methyl-6-(oxolan-3-yl)pyrimidine-2,4-diamine?
The InChIKey is AOGIFNGKMVHLCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N5O/c1-16(4-3-12)10-6-9(14-11(13)15-10)8-2-5-17-7-8/h6,8H,2-5,7,12H2,1H3,(H2,13,14,15).
What are the key properties of 4-N-(2-aminoethyl)-4-N-methyl-6-(oxolan-3-yl)pyrimidine-2,4-diamine?
4-N-(2-aminoethyl)-4-N-methyl-6-(oxolan-3-yl)pyrimidine-2,4-diamine has a molecular weight of 237.31 g/mol, XLogP of -0.04, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2-aminoethyl)-4-N-methyl-6-(oxolan-3-yl)pyrimidine-2,4-diamine is sourced from PubChem (CID 53378714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).