N'-(2-cyclopropyl-4-propan-2-ylpyrimidin-5-yl)ethane-1,2-diamine

C12H20N4 — CID 117212057

IUPACN'-(2-cyclopropyl-4-propan-2-ylpyrimidin-5-yl)ethane-1,2-diamine
SMILESCC(C)c1nc(C2CC2)ncc1NCCN
InChIInChI=1S/C12H20N4/c1-8(2)11-10(14-6-5-13)7-15-12(16-11)9-3-4-9/h7-9,14H,3-6,13H2,1-2H3
InChIKeyVZVHKVYPPBMLDI-UHFFFAOYSA-N
MW220.32 g/mol
LogP1.85
Rot. Bonds5

About N'-(2-cyclopropyl-4-propan-2-ylpyrimidin-5-yl)ethane-1,2-diamine

N'-(2-cyclopropyl-4-propan-2-ylpyrimidin-5-yl)ethane-1,2-diamine (PubChem CID 117212057) has the molecular formula C12H20N4 and a molecular weight of 220.32 g/mol. Its IUPAC name is N'-(2-cyclopropyl-4-propan-2-ylpyrimidin-5-yl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-(2-cyclopropyl-4-propan-2-ylpyrimidin-5-yl)ethane-1,2-diamine
PubChem CID117212057
Molecular FormulaC12H20N4
Molecular Weight220.32 g/mol
Exact Mass220.17
IUPAC NameN'-(2-cyclopropyl-4-propan-2-ylpyrimidin-5-yl)ethane-1,2-diamine
SMILESCC(C)c1nc(C2CC2)ncc1NCCN
InChIInChI=1S/C12H20N4/c1-8(2)11-10(14-6-5-13)7-15-12(16-11)9-3-4-9/h7-9,14H,3-6,13H2,1-2H3
InChIKeyVZVHKVYPPBMLDI-UHFFFAOYSA-N
XLogP1.85
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N'-(4-cyclopentyl-2-cyclopropylpyrimidin-5-yl)ethane-1,2-diamine
CID 117211581
N'-(2-phenyl-4-propan-2-ylpyrimidin-5-yl)ethane-1,2-diamine
CID 117212070
N'-(2-cyclopropyl-4-ethylpyrimidin-5-yl)propane-1,3-diamine
CID 117212128
N'-[2-cyclopentyl-4-(2-methylphenyl)pyrimidin-5-yl]ethane-1,2-diamine
CID 117211827
N'-[2-cyclobutyl-4-(4-methylphenyl)pyrimidin-5-yl]ethane-1,2-diamine
CID 117211923
(2-cyclopropyl-4-propan-2-ylpyrimidin-5-yl)methanol
CID 126974115
N'-[2-cyclopentyl-4-(2-methoxyphenyl)pyrimidin-5-yl]ethane-1,2-diamine
CID 117211831
4-[5-(2-aminoethylamino)-4-propan-2-ylpyrimidin-2-yl]phenol
CID 136934593
N'-[4-(2-chlorophenyl)-2-cyclobutylpyrimidin-5-yl]ethane-1,2-diamine
CID 117211824
N'-(2-cyclobutyl-4-cyclopropylpyrimidin-5-yl)propane-1,3-diamine
CID 117211459
N'-(2-ethyl-4-propan-2-ylpyrimidin-5-yl)propane-1,3-diamine
CID 117212191
N'-[4-(2-chlorophenyl)-2-cyclopropylpyrimidin-5-yl]propane-1,3-diamine
CID 117211859

Frequently Asked Questions

What is the IUPAC name of N'-(2-cyclopropyl-4-propan-2-ylpyrimidin-5-yl)ethane-1,2-diamine?
The IUPAC name of N'-(2-cyclopropyl-4-propan-2-ylpyrimidin-5-yl)ethane-1,2-diamine (CID 117212057) is N'-(2-cyclopropyl-4-propan-2-ylpyrimidin-5-yl)ethane-1,2-diamine.
What is the SMILES notation for N'-(2-cyclopropyl-4-propan-2-ylpyrimidin-5-yl)ethane-1,2-diamine?
The canonical SMILES for N'-(2-cyclopropyl-4-propan-2-ylpyrimidin-5-yl)ethane-1,2-diamine is CC(C)c1nc(C2CC2)ncc1NCCN.
What is the InChIKey of N'-(2-cyclopropyl-4-propan-2-ylpyrimidin-5-yl)ethane-1,2-diamine?
The InChIKey is VZVHKVYPPBMLDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4/c1-8(2)11-10(14-6-5-13)7-15-12(16-11)9-3-4-9/h7-9,14H,3-6,13H2,1-2H3.
What are the key properties of N'-(2-cyclopropyl-4-propan-2-ylpyrimidin-5-yl)ethane-1,2-diamine?
N'-(2-cyclopropyl-4-propan-2-ylpyrimidin-5-yl)ethane-1,2-diamine has a molecular weight of 220.32 g/mol, XLogP of 1.85, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-cyclopropyl-4-propan-2-ylpyrimidin-5-yl)ethane-1,2-diamine is sourced from PubChem (CID 117212057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).