5-chloro-4-N-[1-(furan-2-yl)propan-2-yl]-2-N-methylpyrimidine-2,4-diamine

C12H15ClN4O — CID 80804226

IUPAC5-chloro-4-N-[1-(furan-2-yl)propan-2-yl]-2-N-methylpyrimidine-2,4-diamine
SMILESCNc1ncc(Cl)c(NC(C)Cc2ccco2)n1
InChIInChI=1S/C12H15ClN4O/c1-8(6-9-4-3-5-18-9)16-11-10(13)7-15-12(14-2)17-11/h3-5,7-8H,6H2,1-2H3,(H2,14,15,16,17)
InChIKeyXHYUBPKKGOMUKZ-UHFFFAOYSA-N
MW266.73 g/mol
LogP2.81
Rot. Bonds5

About 5-chloro-4-N-[1-(furan-2-yl)propan-2-yl]-2-N-methylpyrimidine-2,4-diamine

5-chloro-4-N-[1-(furan-2-yl)propan-2-yl]-2-N-methylpyrimidine-2,4-diamine (PubChem CID 80804226) has the molecular formula C12H15ClN4O and a molecular weight of 266.73 g/mol. Its IUPAC name is 5-chloro-4-N-[1-(furan-2-yl)propan-2-yl]-2-N-methylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-chloro-4-N-[1-(furan-2-yl)propan-2-yl]-2-N-methylpyrimidine-2,4-diamine
PubChem CID80804226
Molecular FormulaC12H15ClN4O
Molecular Weight266.73 g/mol
Exact Mass266.09
IUPAC Name5-chloro-4-N-[1-(furan-2-yl)propan-2-yl]-2-N-methylpyrimidine-2,4-diamine
SMILESCNc1ncc(Cl)c(NC(C)Cc2ccco2)n1
InChIInChI=1S/C12H15ClN4O/c1-8(6-9-4-3-5-18-9)16-11-10(13)7-15-12(14-2)17-11/h3-5,7-8H,6H2,1-2H3,(H2,14,15,16,17)
InChIKeyXHYUBPKKGOMUKZ-UHFFFAOYSA-N
XLogP2.81
TPSA62.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.73
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-chloro-2-N-methyl-4-N-(1-phenylpropan-2-yl)pyrimidine-2,4-diamine
CID 80831177
5-chloro-2-N-ethyl-4-N-[4-(furan-2-yl)butan-2-yl]pyrimidine-2,4-diamine
CID 80805349
2-[[5-chloro-2-(methylamino)pyrimidin-4-yl]amino]propan-1-ol
CID 80778757
3-[[5-chloro-2-(methylamino)pyrimidin-4-yl]amino]butan-1-ol
CID 83180608
N-[1-(furan-2-yl)propan-2-yl]-5-iodopyrimidin-2-amine
CID 104840074
5-chloro-2-N-methyl-4-N-(4-phenylbutan-2-yl)pyrimidine-2,4-diamine
CID 80811720
5-chloro-4-N-(4-methoxybutan-2-yl)-2-N-methylpyrimidine-2,4-diamine
CID 80844103
N-[1-(furan-2-yl)propan-2-yl]furo[3,2-c]pyridin-4-amine
CID 113243688
5-chloro-N-[1-(furan-2-yl)ethyl]-2-hydrazinylpyrimidin-4-amine
CID 80907426
5-ethyl-4-N-[1-(furan-2-yl)propan-2-yl]-6-N-methylpyrimidine-4,6-diamine
CID 80802948
2-chloro-6-ethyl-N-[1-(furan-2-yl)propan-2-yl]thieno[2,3-d]pyrimidin-4-amine
CID 103320972
N-[1-(furan-2-yl)propan-2-yl]-1-methylimidazo[4,5-c]pyridin-4-amine
CID 103385464

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-N-[1-(furan-2-yl)propan-2-yl]-2-N-methylpyrimidine-2,4-diamine?
The IUPAC name of 5-chloro-4-N-[1-(furan-2-yl)propan-2-yl]-2-N-methylpyrimidine-2,4-diamine (CID 80804226) is 5-chloro-4-N-[1-(furan-2-yl)propan-2-yl]-2-N-methylpyrimidine-2,4-diamine.
What is the SMILES notation for 5-chloro-4-N-[1-(furan-2-yl)propan-2-yl]-2-N-methylpyrimidine-2,4-diamine?
The canonical SMILES for 5-chloro-4-N-[1-(furan-2-yl)propan-2-yl]-2-N-methylpyrimidine-2,4-diamine is CNc1ncc(Cl)c(NC(C)Cc2ccco2)n1.
What is the InChIKey of 5-chloro-4-N-[1-(furan-2-yl)propan-2-yl]-2-N-methylpyrimidine-2,4-diamine?
The InChIKey is XHYUBPKKGOMUKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN4O/c1-8(6-9-4-3-5-18-9)16-11-10(13)7-15-12(14-2)17-11/h3-5,7-8H,6H2,1-2H3,(H2,14,15,16,17).
What are the key properties of 5-chloro-4-N-[1-(furan-2-yl)propan-2-yl]-2-N-methylpyrimidine-2,4-diamine?
5-chloro-4-N-[1-(furan-2-yl)propan-2-yl]-2-N-methylpyrimidine-2,4-diamine has a molecular weight of 266.73 g/mol, XLogP of 2.81, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-N-[1-(furan-2-yl)propan-2-yl]-2-N-methylpyrimidine-2,4-diamine is sourced from PubChem (CID 80804226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).