1-cyclopropyl-N-(6-propylpyrimidin-4-yl)ethane-1,2-diamine

C12H20N4 — CID 65188516

IUPAC1-cyclopropyl-N-(6-propylpyrimidin-4-yl)ethane-1,2-diamine
SMILESCCCc1cc(NC(CN)C2CC2)ncn1
InChIInChI=1S/C12H20N4/c1-2-3-10-6-12(15-8-14-10)16-11(7-13)9-4-5-9/h6,8-9,11H,2-5,7,13H2,1H3,(H,14,15,16)
InChIKeyCVSUTCGZAUFIQN-UHFFFAOYSA-N
MW220.32 g/mol
LogP1.58
Rot. Bonds6

About 1-cyclopropyl-N-(6-propylpyrimidin-4-yl)ethane-1,2-diamine

1-cyclopropyl-N-(6-propylpyrimidin-4-yl)ethane-1,2-diamine (PubChem CID 65188516) has the molecular formula C12H20N4 and a molecular weight of 220.32 g/mol. Its IUPAC name is 1-cyclopropyl-N-(6-propylpyrimidin-4-yl)ethane-1,2-diamine.

Molecular Properties

Compound Name1-cyclopropyl-N-(6-propylpyrimidin-4-yl)ethane-1,2-diamine
PubChem CID65188516
Molecular FormulaC12H20N4
Molecular Weight220.32 g/mol
Exact Mass220.17
IUPAC Name1-cyclopropyl-N-(6-propylpyrimidin-4-yl)ethane-1,2-diamine
SMILESCCCc1cc(NC(CN)C2CC2)ncn1
InChIInChI=1S/C12H20N4/c1-2-3-10-6-12(15-8-14-10)16-11(7-13)9-4-5-9/h6,8-9,11H,2-5,7,13H2,1H3,(H,14,15,16)
InChIKeyCVSUTCGZAUFIQN-UHFFFAOYSA-N
XLogP1.58
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-N-(6-propylpyrimidin-4-yl)ethane-1,2-diamine?
The IUPAC name of 1-cyclopropyl-N-(6-propylpyrimidin-4-yl)ethane-1,2-diamine (CID 65188516) is 1-cyclopropyl-N-(6-propylpyrimidin-4-yl)ethane-1,2-diamine.
What is the SMILES notation for 1-cyclopropyl-N-(6-propylpyrimidin-4-yl)ethane-1,2-diamine?
The canonical SMILES for 1-cyclopropyl-N-(6-propylpyrimidin-4-yl)ethane-1,2-diamine is CCCc1cc(NC(CN)C2CC2)ncn1.
What is the InChIKey of 1-cyclopropyl-N-(6-propylpyrimidin-4-yl)ethane-1,2-diamine?
The InChIKey is CVSUTCGZAUFIQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4/c1-2-3-10-6-12(15-8-14-10)16-11(7-13)9-4-5-9/h6,8-9,11H,2-5,7,13H2,1H3,(H,14,15,16).
What are the key properties of 1-cyclopropyl-N-(6-propylpyrimidin-4-yl)ethane-1,2-diamine?
1-cyclopropyl-N-(6-propylpyrimidin-4-yl)ethane-1,2-diamine has a molecular weight of 220.32 g/mol, XLogP of 1.58, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-N-(6-propylpyrimidin-4-yl)ethane-1,2-diamine is sourced from PubChem (CID 65188516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).