5-chloro-2-N-ethyl-4-N-(1-methylpiperidin-4-yl)pyrimidine-2,4-diamine

C12H20ClN5 — CID 80784211

IUPAC5-chloro-2-N-ethyl-4-N-(1-methylpiperidin-4-yl)pyrimidine-2,4-diamine
SMILESCCNc1ncc(Cl)c(NC2CCN(C)CC2)n1
InChIInChI=1S/C12H20ClN5/c1-3-14-12-15-8-10(13)11(17-12)16-9-4-6-18(2)7-5-9/h8-9H,3-7H2,1-2H3,(H2,14,15,16,17)
InChIKeyVZKWQHHRXHHNPQ-UHFFFAOYSA-N
MW269.78 g/mol
LogP2.07
Rot. Bonds4

About 5-chloro-2-N-ethyl-4-N-(1-methylpiperidin-4-yl)pyrimidine-2,4-diamine

5-chloro-2-N-ethyl-4-N-(1-methylpiperidin-4-yl)pyrimidine-2,4-diamine (PubChem CID 80784211) has the molecular formula C12H20ClN5 and a molecular weight of 269.78 g/mol. Its IUPAC name is 5-chloro-2-N-ethyl-4-N-(1-methylpiperidin-4-yl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-chloro-2-N-ethyl-4-N-(1-methylpiperidin-4-yl)pyrimidine-2,4-diamine
PubChem CID80784211
Molecular FormulaC12H20ClN5
Molecular Weight269.78 g/mol
Exact Mass269.14
IUPAC Name5-chloro-2-N-ethyl-4-N-(1-methylpiperidin-4-yl)pyrimidine-2,4-diamine
SMILESCCNc1ncc(Cl)c(NC2CCN(C)CC2)n1
InChIInChI=1S/C12H20ClN5/c1-3-14-12-15-8-10(13)11(17-12)16-9-4-6-18(2)7-5-9/h8-9H,3-7H2,1-2H3,(H2,14,15,16,17)
InChIKeyVZKWQHHRXHHNPQ-UHFFFAOYSA-N
XLogP2.07
TPSA53.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.78
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-N-ethyl-4-N-(1-methylpiperidin-4-yl)pyrimidine-2,4-diamine?
The IUPAC name of 5-chloro-2-N-ethyl-4-N-(1-methylpiperidin-4-yl)pyrimidine-2,4-diamine (CID 80784211) is 5-chloro-2-N-ethyl-4-N-(1-methylpiperidin-4-yl)pyrimidine-2,4-diamine.
What is the SMILES notation for 5-chloro-2-N-ethyl-4-N-(1-methylpiperidin-4-yl)pyrimidine-2,4-diamine?
The canonical SMILES for 5-chloro-2-N-ethyl-4-N-(1-methylpiperidin-4-yl)pyrimidine-2,4-diamine is CCNc1ncc(Cl)c(NC2CCN(C)CC2)n1.
What is the InChIKey of 5-chloro-2-N-ethyl-4-N-(1-methylpiperidin-4-yl)pyrimidine-2,4-diamine?
The InChIKey is VZKWQHHRXHHNPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20ClN5/c1-3-14-12-15-8-10(13)11(17-12)16-9-4-6-18(2)7-5-9/h8-9H,3-7H2,1-2H3,(H2,14,15,16,17).
What are the key properties of 5-chloro-2-N-ethyl-4-N-(1-methylpiperidin-4-yl)pyrimidine-2,4-diamine?
5-chloro-2-N-ethyl-4-N-(1-methylpiperidin-4-yl)pyrimidine-2,4-diamine has a molecular weight of 269.78 g/mol, XLogP of 2.07, 4 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-(1-methylpiperidin-4-yl)pyrimidine-2,4-diamine is sourced from PubChem (CID 80784211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).