5-chloro-4-N-[2-[cyclopropyl(methyl)amino]ethyl]-2-N-methylpyrimidine-2,4-diamine

C11H18ClN5 — CID 80822914

IUPAC5-chloro-4-N-[2-[cyclopropyl(methyl)amino]ethyl]-2-N-methylpyrimidine-2,4-diamine
SMILESCNc1ncc(Cl)c(NCCN(C)C2CC2)n1
InChIInChI=1S/C11H18ClN5/c1-13-11-15-7-9(12)10(16-11)14-5-6-17(2)8-3-4-8/h7-8H,3-6H2,1-2H3,(H2,13,14,15,16)
InChIKeyNLPVWRYUUGEPTM-UHFFFAOYSA-N
MW255.75 g/mol
LogP1.68
Rot. Bonds6

About 5-chloro-4-N-[2-[cyclopropyl(methyl)amino]ethyl]-2-N-methylpyrimidine-2,4-diamine

5-chloro-4-N-[2-[cyclopropyl(methyl)amino]ethyl]-2-N-methylpyrimidine-2,4-diamine (PubChem CID 80822914) has the molecular formula C11H18ClN5 and a molecular weight of 255.75 g/mol. Its IUPAC name is 5-chloro-4-N-[2-[cyclopropyl(methyl)amino]ethyl]-2-N-methylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-chloro-4-N-[2-[cyclopropyl(methyl)amino]ethyl]-2-N-methylpyrimidine-2,4-diamine
PubChem CID80822914
Molecular FormulaC11H18ClN5
Molecular Weight255.75 g/mol
Exact Mass255.13
IUPAC Name5-chloro-4-N-[2-[cyclopropyl(methyl)amino]ethyl]-2-N-methylpyrimidine-2,4-diamine
SMILESCNc1ncc(Cl)c(NCCN(C)C2CC2)n1
InChIInChI=1S/C11H18ClN5/c1-13-11-15-7-9(12)10(16-11)14-5-6-17(2)8-3-4-8/h7-8H,3-6H2,1-2H3,(H2,13,14,15,16)
InChIKeyNLPVWRYUUGEPTM-UHFFFAOYSA-N
XLogP1.68
TPSA53.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.75
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-N-[2-[cyclopropyl(methyl)amino]ethyl]-2-N-methylpyrimidine-2,4-diamine?
The IUPAC name of 5-chloro-4-N-[2-[cyclopropyl(methyl)amino]ethyl]-2-N-methylpyrimidine-2,4-diamine (CID 80822914) is 5-chloro-4-N-[2-[cyclopropyl(methyl)amino]ethyl]-2-N-methylpyrimidine-2,4-diamine.
What is the SMILES notation for 5-chloro-4-N-[2-[cyclopropyl(methyl)amino]ethyl]-2-N-methylpyrimidine-2,4-diamine?
The canonical SMILES for 5-chloro-4-N-[2-[cyclopropyl(methyl)amino]ethyl]-2-N-methylpyrimidine-2,4-diamine is CNc1ncc(Cl)c(NCCN(C)C2CC2)n1.
What is the InChIKey of 5-chloro-4-N-[2-[cyclopropyl(methyl)amino]ethyl]-2-N-methylpyrimidine-2,4-diamine?
The InChIKey is NLPVWRYUUGEPTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18ClN5/c1-13-11-15-7-9(12)10(16-11)14-5-6-17(2)8-3-4-8/h7-8H,3-6H2,1-2H3,(H2,13,14,15,16).
What are the key properties of 5-chloro-4-N-[2-[cyclopropyl(methyl)amino]ethyl]-2-N-methylpyrimidine-2,4-diamine?
5-chloro-4-N-[2-[cyclopropyl(methyl)amino]ethyl]-2-N-methylpyrimidine-2,4-diamine has a molecular weight of 255.75 g/mol, XLogP of 1.68, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-N-[2-[cyclopropyl(methyl)amino]ethyl]-2-N-methylpyrimidine-2,4-diamine is sourced from PubChem (CID 80822914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).