N-cyclopropyl-N'-pyrimidin-2-ylethane-1,2-diamine

C9H14N4 — CID 62663057

IUPACN-cyclopropyl-N'-pyrimidin-2-ylethane-1,2-diamine
SMILESc1cnc(NCCNC2CC2)nc1
InChIInChI=1S/C9H14N4/c1-4-11-9(12-5-1)13-7-6-10-8-2-3-8/h1,4-5,8,10H,2-3,6-7H2,(H,11,12,13)
InChIKeyVPJPODNBBDKPQX-UHFFFAOYSA-N
MW178.24 g/mol
LogP0.64
Rot. Bonds5

About N-cyclopropyl-N'-pyrimidin-2-ylethane-1,2-diamine

N-cyclopropyl-N'-pyrimidin-2-ylethane-1,2-diamine (PubChem CID 62663057) has the molecular formula C9H14N4 and a molecular weight of 178.24 g/mol. Its IUPAC name is N-cyclopropyl-N'-pyrimidin-2-ylethane-1,2-diamine.

Molecular Properties

Compound NameN-cyclopropyl-N'-pyrimidin-2-ylethane-1,2-diamine
PubChem CID62663057
Molecular FormulaC9H14N4
Molecular Weight178.24 g/mol
Exact Mass178.12
IUPAC NameN-cyclopropyl-N'-pyrimidin-2-ylethane-1,2-diamine
SMILESc1cnc(NCCNC2CC2)nc1
InChIInChI=1S/C9H14N4/c1-4-11-9(12-5-1)13-7-6-10-8-2-3-8/h1,4-5,8,10H,2-3,6-7H2,(H,11,12,13)
InChIKeyVPJPODNBBDKPQX-UHFFFAOYSA-N
XLogP0.64
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.24
LogP ≤ 50.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-cyclopropyl-N'-pyrimidin-2-ylethane-1,2-diamine?
The IUPAC name of N-cyclopropyl-N'-pyrimidin-2-ylethane-1,2-diamine (CID 62663057) is N-cyclopropyl-N'-pyrimidin-2-ylethane-1,2-diamine.
What is the SMILES notation for N-cyclopropyl-N'-pyrimidin-2-ylethane-1,2-diamine?
The canonical SMILES for N-cyclopropyl-N'-pyrimidin-2-ylethane-1,2-diamine is c1cnc(NCCNC2CC2)nc1.
What is the InChIKey of N-cyclopropyl-N'-pyrimidin-2-ylethane-1,2-diamine?
The InChIKey is VPJPODNBBDKPQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4/c1-4-11-9(12-5-1)13-7-6-10-8-2-3-8/h1,4-5,8,10H,2-3,6-7H2,(H,11,12,13).
What are the key properties of N-cyclopropyl-N'-pyrimidin-2-ylethane-1,2-diamine?
N-cyclopropyl-N'-pyrimidin-2-ylethane-1,2-diamine has a molecular weight of 178.24 g/mol, XLogP of 0.64, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N'-pyrimidin-2-ylethane-1,2-diamine is sourced from PubChem (CID 62663057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).