6-chloro-N-(1-ethoxypropan-2-yl)-2-propan-2-ylpyrimidin-4-amine

C12H20ClN3O — CID 80953961

IUPAC6-chloro-N-(1-ethoxypropan-2-yl)-2-propan-2-ylpyrimidin-4-amine
SMILESCCOCC(C)Nc1cc(Cl)nc(C(C)C)n1
InChIInChI=1S/C12H20ClN3O/c1-5-17-7-9(4)14-11-6-10(13)15-12(16-11)8(2)3/h6,8-9H,5,7H2,1-4H3,(H,14,15,16)
InChIKeyVHFUXDCVHRNTDS-UHFFFAOYSA-N
MW257.76 g/mol
LogP3.09
Rot. Bonds6

About 6-chloro-N-(1-ethoxypropan-2-yl)-2-propan-2-ylpyrimidin-4-amine

6-chloro-N-(1-ethoxypropan-2-yl)-2-propan-2-ylpyrimidin-4-amine (PubChem CID 80953961) has the molecular formula C12H20ClN3O and a molecular weight of 257.76 g/mol. Its IUPAC name is 6-chloro-N-(1-ethoxypropan-2-yl)-2-propan-2-ylpyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-N-(1-ethoxypropan-2-yl)-2-propan-2-ylpyrimidin-4-amine
PubChem CID80953961
Molecular FormulaC12H20ClN3O
Molecular Weight257.76 g/mol
Exact Mass257.13
IUPAC Name6-chloro-N-(1-ethoxypropan-2-yl)-2-propan-2-ylpyrimidin-4-amine
SMILESCCOCC(C)Nc1cc(Cl)nc(C(C)C)n1
InChIInChI=1S/C12H20ClN3O/c1-5-17-7-9(4)14-11-6-10(13)15-12(16-11)8(2)3/h6,8-9H,5,7H2,1-4H3,(H,14,15,16)
InChIKeyVHFUXDCVHRNTDS-UHFFFAOYSA-N
XLogP3.09
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.76
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-ethoxypropan-2-yl)-6-hydrazinyl-2-propan-2-ylpyrimidin-4-amine
CID 80964267
6-chloro-N-(2-ethoxyethyl)-2-propan-2-ylpyrimidin-4-amine
CID 80954148
6-chloro-N-pent-1-yn-3-yl-2-propan-2-ylpyrimidin-4-amine
CID 106232756
4-N-(1-ethoxypropan-2-yl)-6-N-methylpyrimidine-2,4,6-triamine
CID 80813392
6-chloro-N-(1-cyclopropylethyl)-2-propan-2-ylpyrimidin-4-amine
CID 80954067
6-chloro-2-(ethoxymethyl)-N-(4,4,4-trifluorobutan-2-yl)pyrimidin-4-amine
CID 114131045
methyl 2-[(6-chloro-2-propan-2-ylpyrimidin-4-yl)amino]-3-methylbutanoate
CID 80953741
4-N-(1-ethoxypropan-2-yl)-2-N-methyl-6-(trifluoromethyl)pyrimidine-2,4-diamine
CID 114564719
N-[(2S)-butan-2-yl]-6-chloro-2-methylpyrimidin-4-amine
CID 94454151
6-chloro-2-propan-2-yl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pyrimidin-4-amine
CID 106282777
6-chloro-N-[(2S)-1-ethoxypropan-2-yl]-2-methylpyridin-3-amine
CID 99838879
6-chloro-N-(1-methoxypropan-2-yl)-2-methylsulfanylpyrimidin-4-amine
CID 112724489

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(1-ethoxypropan-2-yl)-2-propan-2-ylpyrimidin-4-amine?
The IUPAC name of 6-chloro-N-(1-ethoxypropan-2-yl)-2-propan-2-ylpyrimidin-4-amine (CID 80953961) is 6-chloro-N-(1-ethoxypropan-2-yl)-2-propan-2-ylpyrimidin-4-amine.
What is the SMILES notation for 6-chloro-N-(1-ethoxypropan-2-yl)-2-propan-2-ylpyrimidin-4-amine?
The canonical SMILES for 6-chloro-N-(1-ethoxypropan-2-yl)-2-propan-2-ylpyrimidin-4-amine is CCOCC(C)Nc1cc(Cl)nc(C(C)C)n1.
What is the InChIKey of 6-chloro-N-(1-ethoxypropan-2-yl)-2-propan-2-ylpyrimidin-4-amine?
The InChIKey is VHFUXDCVHRNTDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20ClN3O/c1-5-17-7-9(4)14-11-6-10(13)15-12(16-11)8(2)3/h6,8-9H,5,7H2,1-4H3,(H,14,15,16).
What are the key properties of 6-chloro-N-(1-ethoxypropan-2-yl)-2-propan-2-ylpyrimidin-4-amine?
6-chloro-N-(1-ethoxypropan-2-yl)-2-propan-2-ylpyrimidin-4-amine has a molecular weight of 257.76 g/mol, XLogP of 3.09, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(1-ethoxypropan-2-yl)-2-propan-2-ylpyrimidin-4-amine is sourced from PubChem (CID 80953961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).