N-[(2,4-dichloropyrimidin-5-yl)methyl]propan-2-amine

C8H11Cl2N3 — CID 53385528

IUPACN-[(2,4-dichloropyrimidin-5-yl)methyl]propan-2-amine
SMILESCC(C)NCc1cnc(Cl)nc1Cl
InChIInChI=1S/C8H11Cl2N3/c1-5(2)11-3-6-4-12-8(10)13-7(6)9/h4-5,11H,3H2,1-2H3
InChIKeyNVAHMXACMSTMRU-UHFFFAOYSA-N
MW220.10 g/mol
LogP2.28
Rot. Bonds3

About N-[(2,4-dichloropyrimidin-5-yl)methyl]propan-2-amine

N-[(2,4-dichloropyrimidin-5-yl)methyl]propan-2-amine (PubChem CID 53385528) has the molecular formula C8H11Cl2N3 and a molecular weight of 220.10 g/mol. Its IUPAC name is N-[(2,4-dichloropyrimidin-5-yl)methyl]propan-2-amine.

Molecular Properties

Compound NameN-[(2,4-dichloropyrimidin-5-yl)methyl]propan-2-amine
PubChem CID53385528
Molecular FormulaC8H11Cl2N3
Molecular Weight220.10 g/mol
Exact Mass219.03
IUPAC NameN-[(2,4-dichloropyrimidin-5-yl)methyl]propan-2-amine
SMILESCC(C)NCc1cnc(Cl)nc1Cl
InChIInChI=1S/C8H11Cl2N3/c1-5(2)11-3-6-4-12-8(10)13-7(6)9/h4-5,11H,3H2,1-2H3
InChIKeyNVAHMXACMSTMRU-UHFFFAOYSA-N
XLogP2.28
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.10
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dichloropyrimidin-5-yl)methyl]propan-2-amine?
The IUPAC name of N-[(2,4-dichloropyrimidin-5-yl)methyl]propan-2-amine (CID 53385528) is N-[(2,4-dichloropyrimidin-5-yl)methyl]propan-2-amine.
What is the SMILES notation for N-[(2,4-dichloropyrimidin-5-yl)methyl]propan-2-amine?
The canonical SMILES for N-[(2,4-dichloropyrimidin-5-yl)methyl]propan-2-amine is CC(C)NCc1cnc(Cl)nc1Cl.
What is the InChIKey of N-[(2,4-dichloropyrimidin-5-yl)methyl]propan-2-amine?
The InChIKey is NVAHMXACMSTMRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11Cl2N3/c1-5(2)11-3-6-4-12-8(10)13-7(6)9/h4-5,11H,3H2,1-2H3.
What are the key properties of N-[(2,4-dichloropyrimidin-5-yl)methyl]propan-2-amine?
N-[(2,4-dichloropyrimidin-5-yl)methyl]propan-2-amine has a molecular weight of 220.10 g/mol, XLogP of 2.28, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-dichloropyrimidin-5-yl)methyl]propan-2-amine is sourced from PubChem (CID 53385528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).