6-chloro-N,2-diethyl-5-methylpyrimidin-4-amine

C9H14ClN3 — CID 79557526

IUPAC6-chloro-N,2-diethyl-5-methylpyrimidin-4-amine
SMILESCCNc1nc(CC)nc(Cl)c1C
InChIInChI=1S/C9H14ClN3/c1-4-7-12-8(10)6(3)9(13-7)11-5-2/h4-5H2,1-3H3,(H,11,12,13)
InChIKeyVYGFDXJDKCTOOB-UHFFFAOYSA-N
MW199.68 g/mol
LogP2.43
Rot. Bonds3

About 6-chloro-N,2-diethyl-5-methylpyrimidin-4-amine

6-chloro-N,2-diethyl-5-methylpyrimidin-4-amine (PubChem CID 79557526) has the molecular formula C9H14ClN3 and a molecular weight of 199.68 g/mol. Its IUPAC name is 6-chloro-N,2-diethyl-5-methylpyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-N,2-diethyl-5-methylpyrimidin-4-amine
PubChem CID79557526
Molecular FormulaC9H14ClN3
Molecular Weight199.68 g/mol
Exact Mass199.09
IUPAC Name6-chloro-N,2-diethyl-5-methylpyrimidin-4-amine
SMILESCCNc1nc(CC)nc(Cl)c1C
InChIInChI=1S/C9H14ClN3/c1-4-7-12-8(10)6(3)9(13-7)11-5-2/h4-5H2,1-3H3,(H,11,12,13)
InChIKeyVYGFDXJDKCTOOB-UHFFFAOYSA-N
XLogP2.43
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.68
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-chloro-2-ethyl-N-[(4-ethylphenyl)methyl]-5-methylpyrimidin-4-amine
CID 106900577
2-[(6-chloro-2-ethyl-5-methylpyrimidin-4-yl)amino]-N-ethylethanesulfonamide
CID 106341566
3-[(6-chloro-2-ethyl-5-methylpyrimidin-4-yl)amino]-2-methylpropan-1-ol
CID 79556195
6-chloro-2-ethyl-5-methyl-N-(2-propan-2-yloxyethyl)pyrimidin-4-amine
CID 104576944
6-N,2-diethyl-5-methyl-4-N-propylpyrimidine-4,6-diamine
CID 80980725
6-chloro-2-ethyl-N-[(4-ethylcyclohexyl)methyl]-5-methylpyrimidin-4-amine
CID 80971890
6-chloro-2-ethyl-5-methyl-N-pent-4-ynylpyrimidin-4-amine
CID 103724872
6-chloro-2-ethyl-5-methyl-N-[(4-methylcyclohexyl)methyl]pyrimidin-4-amine
CID 80972098
6-chloro-2-ethyl-5-methyl-N-(3-propan-2-yloxypropyl)pyrimidin-4-amine
CID 133381990
6-chloro-2-ethyl-5-methyl-N-(2-pyridin-4-ylethyl)pyrimidin-4-amine
CID 80717013
4-[[(6-chloro-2-ethyl-5-methylpyrimidin-4-yl)amino]methyl]cyclohexan-1-ol
CID 114148545
1-[[(6-chloro-2-ethyl-5-methylpyrimidin-4-yl)amino]methyl]cyclohexan-1-ol
CID 80977973

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N,2-diethyl-5-methylpyrimidin-4-amine?
The IUPAC name of 6-chloro-N,2-diethyl-5-methylpyrimidin-4-amine (CID 79557526) is 6-chloro-N,2-diethyl-5-methylpyrimidin-4-amine.
What is the SMILES notation for 6-chloro-N,2-diethyl-5-methylpyrimidin-4-amine?
The canonical SMILES for 6-chloro-N,2-diethyl-5-methylpyrimidin-4-amine is CCNc1nc(CC)nc(Cl)c1C.
What is the InChIKey of 6-chloro-N,2-diethyl-5-methylpyrimidin-4-amine?
The InChIKey is VYGFDXJDKCTOOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14ClN3/c1-4-7-12-8(10)6(3)9(13-7)11-5-2/h4-5H2,1-3H3,(H,11,12,13).
What are the key properties of 6-chloro-N,2-diethyl-5-methylpyrimidin-4-amine?
6-chloro-N,2-diethyl-5-methylpyrimidin-4-amine has a molecular weight of 199.68 g/mol, XLogP of 2.43, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N,2-diethyl-5-methylpyrimidin-4-amine is sourced from PubChem (CID 79557526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).