5-chloro-2-N-ethyl-4-N-[4-(furan-2-yl)butan-2-yl]pyrimidine-2,4-diamine

C14H19ClN4O — CID 80805349

IUPAC5-chloro-2-N-ethyl-4-N-[4-(furan-2-yl)butan-2-yl]pyrimidine-2,4-diamine
SMILESCCNc1ncc(Cl)c(NC(C)CCc2ccco2)n1
InChIInChI=1S/C14H19ClN4O/c1-3-16-14-17-9-12(15)13(19-14)18-10(2)6-7-11-5-4-8-20-11/h4-5,8-10H,3,6-7H2,1-2H3,(H2,16,17,18,19)
InChIKeyKLJKIIHBNQELIS-UHFFFAOYSA-N
MW294.79 g/mol
LogP3.59
Rot. Bonds7

About 5-chloro-2-N-ethyl-4-N-[4-(furan-2-yl)butan-2-yl]pyrimidine-2,4-diamine

5-chloro-2-N-ethyl-4-N-[4-(furan-2-yl)butan-2-yl]pyrimidine-2,4-diamine (PubChem CID 80805349) has the molecular formula C14H19ClN4O and a molecular weight of 294.79 g/mol. Its IUPAC name is 5-chloro-2-N-ethyl-4-N-[4-(furan-2-yl)butan-2-yl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-chloro-2-N-ethyl-4-N-[4-(furan-2-yl)butan-2-yl]pyrimidine-2,4-diamine
PubChem CID80805349
Molecular FormulaC14H19ClN4O
Molecular Weight294.79 g/mol
Exact Mass294.12
IUPAC Name5-chloro-2-N-ethyl-4-N-[4-(furan-2-yl)butan-2-yl]pyrimidine-2,4-diamine
SMILESCCNc1ncc(Cl)c(NC(C)CCc2ccco2)n1
InChIInChI=1S/C14H19ClN4O/c1-3-16-14-17-9-12(15)13(19-14)18-10(2)6-7-11-5-4-8-20-11/h4-5,8-10H,3,6-7H2,1-2H3,(H2,16,17,18,19)
InChIKeyKLJKIIHBNQELIS-UHFFFAOYSA-N
XLogP3.59
TPSA62.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.79
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-chloro-4-N-[1-(furan-2-yl)propan-2-yl]-2-N-methylpyrimidine-2,4-diamine
CID 80804226
5-chloro-2-N-ethyl-4-N-hexan-2-ylpyrimidine-2,4-diamine
CID 80822478
4-N-butan-2-yl-5-chloro-2-N-ethylpyrimidine-2,4-diamine
CID 80765829
5-chloro-2-N-ethyl-4-N-(6-methylheptan-2-yl)pyrimidine-2,4-diamine
CID 80800808
5-chloro-N-ethyl-4-(furan-2-ylmethylsulfanyl)pyrimidin-2-amine
CID 80893486
5-chloro-2-N-methyl-4-N-(4-phenylbutan-2-yl)pyrimidine-2,4-diamine
CID 80811720
6-chloro-N-[4-(furan-2-yl)butan-2-yl]-5-methylpyrimidin-4-amine
CID 63727965
6-chloro-2-N-[4-(furan-2-yl)butan-2-yl]-4-N-methyl-1,3,5-triazine-2,4-diamine
CID 80804357
5-chloro-4-N-[1-(2-chlorophenyl)ethyl]-2-N-ethylpyrimidine-2,4-diamine
CID 80802191
5-chloro-2-N-ethyl-4-N-(3-ethylpentan-2-yl)pyrimidine-2,4-diamine
CID 80846037
6-chloro-N-[4-(furan-2-yl)butan-2-yl]-5-methyl-2-propan-2-ylpyrimidin-4-amine
CID 80979448
5-chloro-2-N-ethyl-4-N-methylpyrimidine-2,4-diamine
CID 80769890

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-N-ethyl-4-N-[4-(furan-2-yl)butan-2-yl]pyrimidine-2,4-diamine?
The IUPAC name of 5-chloro-2-N-ethyl-4-N-[4-(furan-2-yl)butan-2-yl]pyrimidine-2,4-diamine (CID 80805349) is 5-chloro-2-N-ethyl-4-N-[4-(furan-2-yl)butan-2-yl]pyrimidine-2,4-diamine.
What is the SMILES notation for 5-chloro-2-N-ethyl-4-N-[4-(furan-2-yl)butan-2-yl]pyrimidine-2,4-diamine?
The canonical SMILES for 5-chloro-2-N-ethyl-4-N-[4-(furan-2-yl)butan-2-yl]pyrimidine-2,4-diamine is CCNc1ncc(Cl)c(NC(C)CCc2ccco2)n1.
What is the InChIKey of 5-chloro-2-N-ethyl-4-N-[4-(furan-2-yl)butan-2-yl]pyrimidine-2,4-diamine?
The InChIKey is KLJKIIHBNQELIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN4O/c1-3-16-14-17-9-12(15)13(19-14)18-10(2)6-7-11-5-4-8-20-11/h4-5,8-10H,3,6-7H2,1-2H3,(H2,16,17,18,19).
What are the key properties of 5-chloro-2-N-ethyl-4-N-[4-(furan-2-yl)butan-2-yl]pyrimidine-2,4-diamine?
5-chloro-2-N-ethyl-4-N-[4-(furan-2-yl)butan-2-yl]pyrimidine-2,4-diamine has a molecular weight of 294.79 g/mol, XLogP of 3.59, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-N-ethyl-4-N-[4-(furan-2-yl)butan-2-yl]pyrimidine-2,4-diamine is sourced from PubChem (CID 80805349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).