1-[(2,4-dichloropyrimidin-5-yl)methyl]pyrrolidin-3-amine;hydrochloride

C9H13Cl3N4 — CID 71644389

IUPAC1-[(2,4-dichloropyrimidin-5-yl)methyl]pyrrolidin-3-amine;hydrochloride
SMILESCl.NC1CCN(Cc2cnc(Cl)nc2Cl)C1
InChIInChI=1S/C9H12Cl2N4.ClH/c10-8-6(3-13-9(11)14-8)4-15-2-1-7(12)5-15;/h3,7H,1-2,4-5,12H2;1H
InChIKeyFPZGJLBXEROKFI-UHFFFAOYSA-N
MW283.59 g/mol
LogP1.74
Rot. Bonds2

About 1-[(2,4-dichloropyrimidin-5-yl)methyl]pyrrolidin-3-amine;hydrochloride

1-[(2,4-dichloropyrimidin-5-yl)methyl]pyrrolidin-3-amine;hydrochloride (PubChem CID 71644389) has the molecular formula C9H13Cl3N4 and a molecular weight of 283.59 g/mol. Its IUPAC name is 1-[(2,4-dichloropyrimidin-5-yl)methyl]pyrrolidin-3-amine;hydrochloride.

Molecular Properties

Compound Name1-[(2,4-dichloropyrimidin-5-yl)methyl]pyrrolidin-3-amine;hydrochloride
PubChem CID71644389
Molecular FormulaC9H13Cl3N4
Molecular Weight283.59 g/mol
Exact Mass282.02
IUPAC Name1-[(2,4-dichloropyrimidin-5-yl)methyl]pyrrolidin-3-amine;hydrochloride
SMILESCl.NC1CCN(Cc2cnc(Cl)nc2Cl)C1
InChIInChI=1S/C9H12Cl2N4.ClH/c10-8-6(3-13-9(11)14-8)4-15-2-1-7(12)5-15;/h3,7H,1-2,4-5,12H2;1H
InChIKeyFPZGJLBXEROKFI-UHFFFAOYSA-N
XLogP1.74
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.59
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(2,4-dichloropyrimidin-5-yl)methyl]pyrrolidin-3-amine;hydrochloride?
The IUPAC name of 1-[(2,4-dichloropyrimidin-5-yl)methyl]pyrrolidin-3-amine;hydrochloride (CID 71644389) is 1-[(2,4-dichloropyrimidin-5-yl)methyl]pyrrolidin-3-amine;hydrochloride.
What is the SMILES notation for 1-[(2,4-dichloropyrimidin-5-yl)methyl]pyrrolidin-3-amine;hydrochloride?
The canonical SMILES for 1-[(2,4-dichloropyrimidin-5-yl)methyl]pyrrolidin-3-amine;hydrochloride is Cl.NC1CCN(Cc2cnc(Cl)nc2Cl)C1.
What is the InChIKey of 1-[(2,4-dichloropyrimidin-5-yl)methyl]pyrrolidin-3-amine;hydrochloride?
The InChIKey is FPZGJLBXEROKFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12Cl2N4.ClH/c10-8-6(3-13-9(11)14-8)4-15-2-1-7(12)5-15;/h3,7H,1-2,4-5,12H2;1H.
What are the key properties of 1-[(2,4-dichloropyrimidin-5-yl)methyl]pyrrolidin-3-amine;hydrochloride?
1-[(2,4-dichloropyrimidin-5-yl)methyl]pyrrolidin-3-amine;hydrochloride has a molecular weight of 283.59 g/mol, XLogP of 1.74, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,4-dichloropyrimidin-5-yl)methyl]pyrrolidin-3-amine;hydrochloride is sourced from PubChem (CID 71644389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).