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

C13H22N4 — CID 61240927

IUPACN'-cyclopropyl-N'-(6-propan-2-ylpyrimidin-4-yl)propane-1,3-diamine
SMILESCC(C)c1cc(N(CCCN)C2CC2)ncn1
InChIInChI=1S/C13H22N4/c1-10(2)12-8-13(16-9-15-12)17(7-3-6-14)11-4-5-11/h8-11H,3-7,14H2,1-2H3
InChIKeyGVAXJCSXOWZNOE-UHFFFAOYSA-N
MW234.35 g/mol
LogP1.92
Rot. Bonds6

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

N'-cyclopropyl-N'-(6-propan-2-ylpyrimidin-4-yl)propane-1,3-diamine (PubChem CID 61240927) has the molecular formula C13H22N4 and a molecular weight of 234.35 g/mol. Its IUPAC name is N'-cyclopropyl-N'-(6-propan-2-ylpyrimidin-4-yl)propane-1,3-diamine.

Molecular Properties

Compound NameN'-cyclopropyl-N'-(6-propan-2-ylpyrimidin-4-yl)propane-1,3-diamine
PubChem CID61240927
Molecular FormulaC13H22N4
Molecular Weight234.35 g/mol
Exact Mass234.18
IUPAC NameN'-cyclopropyl-N'-(6-propan-2-ylpyrimidin-4-yl)propane-1,3-diamine
SMILESCC(C)c1cc(N(CCCN)C2CC2)ncn1
InChIInChI=1S/C13H22N4/c1-10(2)12-8-13(16-9-15-12)17(7-3-6-14)11-4-5-11/h8-11H,3-7,14H2,1-2H3
InChIKeyGVAXJCSXOWZNOE-UHFFFAOYSA-N
XLogP1.92
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.35
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N'-cyclopropyl-N'-(6-propan-2-ylpyrimidin-4-yl)ethane-1,2-diamine
CID 63761565
3-[cyclopropyl-(6-propan-2-ylpyrimidin-4-yl)amino]propanethioamide
CID 54997397
N-(2-chloroethyl)-N-cyclohexyl-6-propan-2-ylpyrimidin-4-amine
CID 55184049
N-(2-bromoethyl)-N-cyclohexyl-6-propan-2-ylpyrimidin-4-amine
CID 80677181
N'-cyclopentyl-N'-(6-propan-2-yloxypyrimidin-4-yl)propane-1,3-diamine
CID 66332218
N'-cyclopropyl-N'-(6-propan-2-yloxypyrimidin-4-yl)ethane-1,2-diamine
CID 66333463
N'-cycloheptyl-N'-(6-ethoxypyrimidin-4-yl)propane-1,3-diamine
CID 66317669
N'-cyclopropyl-N'-pyrazin-2-ylpropane-1,3-diamine
CID 43137158
N'-cyclopropyl-N'-(6-methylsulfanylpyrimidin-4-yl)ethane-1,2-diamine
CID 106973855
N'-(6-propan-2-ylpyrimidin-4-yl)-N'-(pyridin-3-ylmethyl)propane-1,3-diamine
CID 61240350
4-N-butyl-4-N-cyclopropyl-6-N-methylpyrimidine-4,6-diamine
CID 80799416
N'-cyclopropyl-N'-(2-methylpyrimidin-4-yl)propane-1,3-diamine
CID 62785297

Frequently Asked Questions

What is the IUPAC name of N'-cyclopropyl-N'-(6-propan-2-ylpyrimidin-4-yl)propane-1,3-diamine?
The IUPAC name of N'-cyclopropyl-N'-(6-propan-2-ylpyrimidin-4-yl)propane-1,3-diamine (CID 61240927) is N'-cyclopropyl-N'-(6-propan-2-ylpyrimidin-4-yl)propane-1,3-diamine.
What is the SMILES notation for N'-cyclopropyl-N'-(6-propan-2-ylpyrimidin-4-yl)propane-1,3-diamine?
The canonical SMILES for N'-cyclopropyl-N'-(6-propan-2-ylpyrimidin-4-yl)propane-1,3-diamine is CC(C)c1cc(N(CCCN)C2CC2)ncn1.
What is the InChIKey of N'-cyclopropyl-N'-(6-propan-2-ylpyrimidin-4-yl)propane-1,3-diamine?
The InChIKey is GVAXJCSXOWZNOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4/c1-10(2)12-8-13(16-9-15-12)17(7-3-6-14)11-4-5-11/h8-11H,3-7,14H2,1-2H3.
What are the key properties of N'-cyclopropyl-N'-(6-propan-2-ylpyrimidin-4-yl)propane-1,3-diamine?
N'-cyclopropyl-N'-(6-propan-2-ylpyrimidin-4-yl)propane-1,3-diamine has a molecular weight of 234.35 g/mol, XLogP of 1.92, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-cyclopropyl-N'-(6-propan-2-ylpyrimidin-4-yl)propane-1,3-diamine is sourced from PubChem (CID 61240927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).