4,6-dichloro-N,N-diethyl-5-propylpyrimidin-2-amine

C11H17Cl2N3 — CID 63612489

IUPAC4,6-dichloro-N,N-diethyl-5-propylpyrimidin-2-amine
SMILESCCCc1c(Cl)nc(N(CC)CC)nc1Cl
InChIInChI=1S/C11H17Cl2N3/c1-4-7-8-9(12)14-11(15-10(8)13)16(5-2)6-3/h4-7H2,1-3H3
InChIKeyNBAKLPGXLGKADH-UHFFFAOYSA-N
MW262.18 g/mol
LogP3.58
Rot. Bonds5

About 4,6-dichloro-N,N-diethyl-5-propylpyrimidin-2-amine

4,6-dichloro-N,N-diethyl-5-propylpyrimidin-2-amine (PubChem CID 63612489) has the molecular formula C11H17Cl2N3 and a molecular weight of 262.18 g/mol. Its IUPAC name is 4,6-dichloro-N,N-diethyl-5-propylpyrimidin-2-amine.

Molecular Properties

Compound Name4,6-dichloro-N,N-diethyl-5-propylpyrimidin-2-amine
PubChem CID63612489
Molecular FormulaC11H17Cl2N3
Molecular Weight262.18 g/mol
Exact Mass261.08
IUPAC Name4,6-dichloro-N,N-diethyl-5-propylpyrimidin-2-amine
SMILESCCCc1c(Cl)nc(N(CC)CC)nc1Cl
InChIInChI=1S/C11H17Cl2N3/c1-4-7-8-9(12)14-11(15-10(8)13)16(5-2)6-3/h4-7H2,1-3H3
InChIKeyNBAKLPGXLGKADH-UHFFFAOYSA-N
XLogP3.58
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.18
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4,6-dichloro-N,N-diethyl-5-propylpyrimidin-2-amine?
The IUPAC name of 4,6-dichloro-N,N-diethyl-5-propylpyrimidin-2-amine (CID 63612489) is 4,6-dichloro-N,N-diethyl-5-propylpyrimidin-2-amine.
What is the SMILES notation for 4,6-dichloro-N,N-diethyl-5-propylpyrimidin-2-amine?
The canonical SMILES for 4,6-dichloro-N,N-diethyl-5-propylpyrimidin-2-amine is CCCc1c(Cl)nc(N(CC)CC)nc1Cl.
What is the InChIKey of 4,6-dichloro-N,N-diethyl-5-propylpyrimidin-2-amine?
The InChIKey is NBAKLPGXLGKADH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17Cl2N3/c1-4-7-8-9(12)14-11(15-10(8)13)16(5-2)6-3/h4-7H2,1-3H3.
What are the key properties of 4,6-dichloro-N,N-diethyl-5-propylpyrimidin-2-amine?
4,6-dichloro-N,N-diethyl-5-propylpyrimidin-2-amine has a molecular weight of 262.18 g/mol, XLogP of 3.58, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dichloro-N,N-diethyl-5-propylpyrimidin-2-amine is sourced from PubChem (CID 63612489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).