N'-ethyl-2,2-dimethyl-N'-(6-methyl-2-propan-2-ylpyrimidin-4-yl)propane-1,3-diamine

C15H28N4 — CID 79661617

IUPACN'-ethyl-2,2-dimethyl-N'-(6-methyl-2-propan-2-ylpyrimidin-4-yl)propane-1,3-diamine
SMILESCCN(CC(C)(C)CN)c1cc(C)nc(C(C)C)n1
InChIInChI=1S/C15H28N4/c1-7-19(10-15(5,6)9-16)13-8-12(4)17-14(18-13)11(2)3/h8,11H,7,9-10,16H2,1-6H3
InChIKeyDVBIYHMDGLPUPI-UHFFFAOYSA-N
MW264.42 g/mol
LogP2.72
Rot. Bonds6

About N'-ethyl-2,2-dimethyl-N'-(6-methyl-2-propan-2-ylpyrimidin-4-yl)propane-1,3-diamine

N'-ethyl-2,2-dimethyl-N'-(6-methyl-2-propan-2-ylpyrimidin-4-yl)propane-1,3-diamine (PubChem CID 79661617) has the molecular formula C15H28N4 and a molecular weight of 264.42 g/mol. Its IUPAC name is N'-ethyl-2,2-dimethyl-N'-(6-methyl-2-propan-2-ylpyrimidin-4-yl)propane-1,3-diamine.

Molecular Properties

Compound NameN'-ethyl-2,2-dimethyl-N'-(6-methyl-2-propan-2-ylpyrimidin-4-yl)propane-1,3-diamine
PubChem CID79661617
Molecular FormulaC15H28N4
Molecular Weight264.42 g/mol
Exact Mass264.23
IUPAC NameN'-ethyl-2,2-dimethyl-N'-(6-methyl-2-propan-2-ylpyrimidin-4-yl)propane-1,3-diamine
SMILESCCN(CC(C)(C)CN)c1cc(C)nc(C(C)C)n1
InChIInChI=1S/C15H28N4/c1-7-19(10-15(5,6)9-16)13-8-12(4)17-14(18-13)11(2)3/h8,11H,7,9-10,16H2,1-6H3
InChIKeyDVBIYHMDGLPUPI-UHFFFAOYSA-N
XLogP2.72
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.42
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N'-ethyl-2,2-dimethyl-N'-(6-methylpyrimidin-4-yl)propane-1,3-diamine
CID 79662174
3-[ethyl-(6-methyl-2-propan-2-ylpyrimidin-4-yl)amino]propanimidamide
CID 54993087
1-[(6-chloro-2-propan-2-ylpyrimidin-4-yl)-ethylamino]-2-methylpropan-2-ol
CID 80951387
1-[ethyl-(6-hydrazinyl-2-propan-2-ylpyrimidin-4-yl)amino]-2-methylpropan-2-ol
CID 80969607
2-[carboxymethyl-(6-methyl-2-propan-2-ylpyrimidin-4-yl)amino]acetic acid
CID 63644575
N',2-dimethyl-N'-(6-methyl-2-propan-2-ylpyrimidin-4-yl)propane-1,3-diamine
CID 54991803
N'-ethyl-2,2-dimethyl-N'-(4-methyl-6-propoxypyrimidin-2-yl)propane-1,3-diamine
CID 115973532
2-[methyl-(6-methyl-2-propan-2-ylpyrimidin-4-yl)amino]propan-1-ol
CID 115868780
2-[(6-methyl-2-propan-2-ylpyrimidin-4-yl)-propylamino]acetic acid
CID 54948987
4-N-ethyl-4-N-(2-methylpropyl)-2-propan-2-ylpyrimidine-4,6-diamine
CID 80967666
6-[(3-amino-2,2-dimethylpropyl)-ethylamino]pyridine-2-carbonitrile
CID 79661111
N,6-dimethyl-N-(1-methylsulfonylpropan-2-yl)-2-propan-2-ylpyrimidin-4-amine
CID 133322481

Frequently Asked Questions

What is the IUPAC name of N'-ethyl-2,2-dimethyl-N'-(6-methyl-2-propan-2-ylpyrimidin-4-yl)propane-1,3-diamine?
The IUPAC name of N'-ethyl-2,2-dimethyl-N'-(6-methyl-2-propan-2-ylpyrimidin-4-yl)propane-1,3-diamine (CID 79661617) is N'-ethyl-2,2-dimethyl-N'-(6-methyl-2-propan-2-ylpyrimidin-4-yl)propane-1,3-diamine.
What is the SMILES notation for N'-ethyl-2,2-dimethyl-N'-(6-methyl-2-propan-2-ylpyrimidin-4-yl)propane-1,3-diamine?
The canonical SMILES for N'-ethyl-2,2-dimethyl-N'-(6-methyl-2-propan-2-ylpyrimidin-4-yl)propane-1,3-diamine is CCN(CC(C)(C)CN)c1cc(C)nc(C(C)C)n1.
What is the InChIKey of N'-ethyl-2,2-dimethyl-N'-(6-methyl-2-propan-2-ylpyrimidin-4-yl)propane-1,3-diamine?
The InChIKey is DVBIYHMDGLPUPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N4/c1-7-19(10-15(5,6)9-16)13-8-12(4)17-14(18-13)11(2)3/h8,11H,7,9-10,16H2,1-6H3.
What are the key properties of N'-ethyl-2,2-dimethyl-N'-(6-methyl-2-propan-2-ylpyrimidin-4-yl)propane-1,3-diamine?
N'-ethyl-2,2-dimethyl-N'-(6-methyl-2-propan-2-ylpyrimidin-4-yl)propane-1,3-diamine has a molecular weight of 264.42 g/mol, XLogP of 2.72, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-ethyl-2,2-dimethyl-N'-(6-methyl-2-propan-2-ylpyrimidin-4-yl)propane-1,3-diamine is sourced from PubChem (CID 79661617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).