2-chloro-5-N-methyl-4-N-piperidin-4-ylpyrimidine-4,5-diamine

C10H16ClN5 — CID 146275528

IUPAC2-chloro-5-N-methyl-4-N-piperidin-4-ylpyrimidine-4,5-diamine
SMILESCNc1cnc(Cl)nc1NC1CCNCC1
InChIInChI=1S/C10H16ClN5/c1-12-8-6-14-10(11)16-9(8)15-7-2-4-13-5-3-7/h6-7,12-13H,2-5H2,1H3,(H,14,15,16)
InChIKeyYBZOTZWEBGFRHB-UHFFFAOYSA-N
MW241.73 g/mol
LogP1.34
Rot. Bonds3

About 2-chloro-5-N-methyl-4-N-piperidin-4-ylpyrimidine-4,5-diamine

2-chloro-5-N-methyl-4-N-piperidin-4-ylpyrimidine-4,5-diamine (PubChem CID 146275528) has the molecular formula C10H16ClN5 and a molecular weight of 241.73 g/mol. Its IUPAC name is 2-chloro-5-N-methyl-4-N-piperidin-4-ylpyrimidine-4,5-diamine.

Molecular Properties

Compound Name2-chloro-5-N-methyl-4-N-piperidin-4-ylpyrimidine-4,5-diamine
PubChem CID146275528
Molecular FormulaC10H16ClN5
Molecular Weight241.73 g/mol
Exact Mass241.11
IUPAC Name2-chloro-5-N-methyl-4-N-piperidin-4-ylpyrimidine-4,5-diamine
SMILESCNc1cnc(Cl)nc1NC1CCNCC1
InChIInChI=1S/C10H16ClN5/c1-12-8-6-14-10(11)16-9(8)15-7-2-4-13-5-3-7/h6-7,12-13H,2-5H2,1H3,(H,14,15,16)
InChIKeyYBZOTZWEBGFRHB-UHFFFAOYSA-N
XLogP1.34
TPSA61.87 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.73
LogP ≤ 51.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-N-methyl-4-N-piperidin-4-ylpyrimidine-4,5-diamine?
The IUPAC name of 2-chloro-5-N-methyl-4-N-piperidin-4-ylpyrimidine-4,5-diamine (CID 146275528) is 2-chloro-5-N-methyl-4-N-piperidin-4-ylpyrimidine-4,5-diamine.
What is the SMILES notation for 2-chloro-5-N-methyl-4-N-piperidin-4-ylpyrimidine-4,5-diamine?
The canonical SMILES for 2-chloro-5-N-methyl-4-N-piperidin-4-ylpyrimidine-4,5-diamine is CNc1cnc(Cl)nc1NC1CCNCC1.
What is the InChIKey of 2-chloro-5-N-methyl-4-N-piperidin-4-ylpyrimidine-4,5-diamine?
The InChIKey is YBZOTZWEBGFRHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16ClN5/c1-12-8-6-14-10(11)16-9(8)15-7-2-4-13-5-3-7/h6-7,12-13H,2-5H2,1H3,(H,14,15,16).
What are the key properties of 2-chloro-5-N-methyl-4-N-piperidin-4-ylpyrimidine-4,5-diamine?
2-chloro-5-N-methyl-4-N-piperidin-4-ylpyrimidine-4,5-diamine has a molecular weight of 241.73 g/mol, XLogP of 1.34, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-N-methyl-4-N-piperidin-4-ylpyrimidine-4,5-diamine is sourced from PubChem (CID 146275528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).