5-chloro-N-[[1-(2-chloroethyl)cyclopropyl]methyl]pyrimidin-2-amine

C10H13Cl2N3 — CID 114757745

IUPAC5-chloro-N-[[1-(2-chloroethyl)cyclopropyl]methyl]pyrimidin-2-amine
SMILESClCCC1(CNc2ncc(Cl)cn2)CC1
InChIInChI=1S/C10H13Cl2N3/c11-4-3-10(1-2-10)7-15-9-13-5-8(12)6-14-9/h5-6H,1-4,7H2,(H,13,14,15)
InChIKeyOPISVOFPXFCDCX-UHFFFAOYSA-N
MW246.14 g/mol
LogP2.95
Rot. Bonds5

About 5-chloro-N-[[1-(2-chloroethyl)cyclopropyl]methyl]pyrimidin-2-amine

5-chloro-N-[[1-(2-chloroethyl)cyclopropyl]methyl]pyrimidin-2-amine (PubChem CID 114757745) has the molecular formula C10H13Cl2N3 and a molecular weight of 246.14 g/mol. Its IUPAC name is 5-chloro-N-[[1-(2-chloroethyl)cyclopropyl]methyl]pyrimidin-2-amine.

Molecular Properties

Compound Name5-chloro-N-[[1-(2-chloroethyl)cyclopropyl]methyl]pyrimidin-2-amine
PubChem CID114757745
Molecular FormulaC10H13Cl2N3
Molecular Weight246.14 g/mol
Exact Mass245.05
IUPAC Name5-chloro-N-[[1-(2-chloroethyl)cyclopropyl]methyl]pyrimidin-2-amine
SMILESClCCC1(CNc2ncc(Cl)cn2)CC1
InChIInChI=1S/C10H13Cl2N3/c11-4-3-10(1-2-10)7-15-9-13-5-8(12)6-14-9/h5-6H,1-4,7H2,(H,13,14,15)
InChIKeyOPISVOFPXFCDCX-UHFFFAOYSA-N
XLogP2.95
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.14
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[[1-(2-chloroethyl)cyclopropyl]methyl]pyrimidin-2-amine?
The IUPAC name of 5-chloro-N-[[1-(2-chloroethyl)cyclopropyl]methyl]pyrimidin-2-amine (CID 114757745) is 5-chloro-N-[[1-(2-chloroethyl)cyclopropyl]methyl]pyrimidin-2-amine.
What is the SMILES notation for 5-chloro-N-[[1-(2-chloroethyl)cyclopropyl]methyl]pyrimidin-2-amine?
The canonical SMILES for 5-chloro-N-[[1-(2-chloroethyl)cyclopropyl]methyl]pyrimidin-2-amine is ClCCC1(CNc2ncc(Cl)cn2)CC1.
What is the InChIKey of 5-chloro-N-[[1-(2-chloroethyl)cyclopropyl]methyl]pyrimidin-2-amine?
The InChIKey is OPISVOFPXFCDCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13Cl2N3/c11-4-3-10(1-2-10)7-15-9-13-5-8(12)6-14-9/h5-6H,1-4,7H2,(H,13,14,15).
What are the key properties of 5-chloro-N-[[1-(2-chloroethyl)cyclopropyl]methyl]pyrimidin-2-amine?
5-chloro-N-[[1-(2-chloroethyl)cyclopropyl]methyl]pyrimidin-2-amine has a molecular weight of 246.14 g/mol, XLogP of 2.95, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[[1-(2-chloroethyl)cyclopropyl]methyl]pyrimidin-2-amine is sourced from PubChem (CID 114757745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).