N-(6-cyclopropylpyrimidin-4-yl)-N',N'-dimethylpropane-1,3-diamine;ethyl acetate

C16H28N4O2 — CID 174793805

IUPACN-(6-cyclopropylpyrimidin-4-yl)-N',N'-dimethylpropane-1,3-diamine;ethyl acetate
SMILESCCOC(C)=O.CN(C)CCCNc1cc(C2CC2)ncn1
InChIInChI=1S/C12H20N4.C4H8O2/c1-16(2)7-3-6-13-12-8-11(10-4-5-10)14-9-15-12;1-3-6-4(2)5/h8-10H,3-7H2,1-2H3,(H,13,14,15);3H2,1-2H3
InChIKeyGEYNSAWEJLRWOJ-UHFFFAOYSA-N
MW308.43 g/mol
LogP2.29
Rot. Bonds7

About N-(6-cyclopropylpyrimidin-4-yl)-N',N'-dimethylpropane-1,3-diamine;ethyl acetate

N-(6-cyclopropylpyrimidin-4-yl)-N',N'-dimethylpropane-1,3-diamine;ethyl acetate (PubChem CID 174793805) has the molecular formula C16H28N4O2 and a molecular weight of 308.43 g/mol. Its IUPAC name is N-(6-cyclopropylpyrimidin-4-yl)-N',N'-dimethylpropane-1,3-diamine;ethyl acetate.

Molecular Properties

Compound NameN-(6-cyclopropylpyrimidin-4-yl)-N',N'-dimethylpropane-1,3-diamine;ethyl acetate
PubChem CID174793805
Molecular FormulaC16H28N4O2
Molecular Weight308.43 g/mol
Exact Mass308.22
IUPAC NameN-(6-cyclopropylpyrimidin-4-yl)-N',N'-dimethylpropane-1,3-diamine;ethyl acetate
SMILESCCOC(C)=O.CN(C)CCCNc1cc(C2CC2)ncn1
InChIInChI=1S/C12H20N4.C4H8O2/c1-16(2)7-3-6-13-12-8-11(10-4-5-10)14-9-15-12;1-3-6-4(2)5/h8-10H,3-7H2,1-2H3,(H,13,14,15);3H2,1-2H3
InChIKeyGEYNSAWEJLRWOJ-UHFFFAOYSA-N
XLogP2.29
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.43
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(6-cyclopropylpyrimidin-4-yl)-N',N'-dimethylpropane-1,3-diamine;ethyl acetate?
The IUPAC name of N-(6-cyclopropylpyrimidin-4-yl)-N',N'-dimethylpropane-1,3-diamine;ethyl acetate (CID 174793805) is N-(6-cyclopropylpyrimidin-4-yl)-N',N'-dimethylpropane-1,3-diamine;ethyl acetate.
What is the SMILES notation for N-(6-cyclopropylpyrimidin-4-yl)-N',N'-dimethylpropane-1,3-diamine;ethyl acetate?
The canonical SMILES for N-(6-cyclopropylpyrimidin-4-yl)-N',N'-dimethylpropane-1,3-diamine;ethyl acetate is CCOC(C)=O.CN(C)CCCNc1cc(C2CC2)ncn1.
What is the InChIKey of N-(6-cyclopropylpyrimidin-4-yl)-N',N'-dimethylpropane-1,3-diamine;ethyl acetate?
The InChIKey is GEYNSAWEJLRWOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4.C4H8O2/c1-16(2)7-3-6-13-12-8-11(10-4-5-10)14-9-15-12;1-3-6-4(2)5/h8-10H,3-7H2,1-2H3,(H,13,14,15);3H2,1-2H3.
What are the key properties of N-(6-cyclopropylpyrimidin-4-yl)-N',N'-dimethylpropane-1,3-diamine;ethyl acetate?
N-(6-cyclopropylpyrimidin-4-yl)-N',N'-dimethylpropane-1,3-diamine;ethyl acetate has a molecular weight of 308.43 g/mol, XLogP of 2.29, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-cyclopropylpyrimidin-4-yl)-N',N'-dimethylpropane-1,3-diamine;ethyl acetate is sourced from PubChem (CID 174793805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).