N'-(2-chloro-5-cyclopropylpyrimidin-4-yl)propane-1,3-diamine

C10H15ClN4 — CID 59225234

IUPACN'-(2-chloro-5-cyclopropylpyrimidin-4-yl)propane-1,3-diamine
SMILESNCCCNc1nc(Cl)ncc1C1CC1
InChIInChI=1S/C10H15ClN4/c11-10-14-6-8(7-2-3-7)9(15-10)13-5-1-4-12/h6-7H,1-5,12H2,(H,13,14,15)
InChIKeyBSEYMOXXXRUDQX-UHFFFAOYSA-N
MW226.71 g/mol
LogP1.77
Rot. Bonds5

About N'-(2-chloro-5-cyclopropylpyrimidin-4-yl)propane-1,3-diamine

N'-(2-chloro-5-cyclopropylpyrimidin-4-yl)propane-1,3-diamine (PubChem CID 59225234) has the molecular formula C10H15ClN4 and a molecular weight of 226.71 g/mol. Its IUPAC name is N'-(2-chloro-5-cyclopropylpyrimidin-4-yl)propane-1,3-diamine.

Molecular Properties

Compound NameN'-(2-chloro-5-cyclopropylpyrimidin-4-yl)propane-1,3-diamine
PubChem CID59225234
Molecular FormulaC10H15ClN4
Molecular Weight226.71 g/mol
Exact Mass226.10
IUPAC NameN'-(2-chloro-5-cyclopropylpyrimidin-4-yl)propane-1,3-diamine
SMILESNCCCNc1nc(Cl)ncc1C1CC1
InChIInChI=1S/C10H15ClN4/c11-10-14-6-8(7-2-3-7)9(15-10)13-5-1-4-12/h6-7H,1-5,12H2,(H,13,14,15)
InChIKeyBSEYMOXXXRUDQX-UHFFFAOYSA-N
XLogP1.77
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.71
LogP ≤ 51.77
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'-(2-chloro-5-cyclopropylpyrimidin-4-yl)propane-1,3-diamine?
The IUPAC name of N'-(2-chloro-5-cyclopropylpyrimidin-4-yl)propane-1,3-diamine (CID 59225234) is N'-(2-chloro-5-cyclopropylpyrimidin-4-yl)propane-1,3-diamine.
What is the SMILES notation for N'-(2-chloro-5-cyclopropylpyrimidin-4-yl)propane-1,3-diamine?
The canonical SMILES for N'-(2-chloro-5-cyclopropylpyrimidin-4-yl)propane-1,3-diamine is NCCCNc1nc(Cl)ncc1C1CC1.
What is the InChIKey of N'-(2-chloro-5-cyclopropylpyrimidin-4-yl)propane-1,3-diamine?
The InChIKey is BSEYMOXXXRUDQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15ClN4/c11-10-14-6-8(7-2-3-7)9(15-10)13-5-1-4-12/h6-7H,1-5,12H2,(H,13,14,15).
What are the key properties of N'-(2-chloro-5-cyclopropylpyrimidin-4-yl)propane-1,3-diamine?
N'-(2-chloro-5-cyclopropylpyrimidin-4-yl)propane-1,3-diamine has a molecular weight of 226.71 g/mol, XLogP of 1.77, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-chloro-5-cyclopropylpyrimidin-4-yl)propane-1,3-diamine is sourced from PubChem (CID 59225234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).