2-chloro-4-N-pentan-3-ylpyrimidine-4,6-diamine

C9H15ClN4 — CID 87084099

IUPAC2-chloro-4-N-pentan-3-ylpyrimidine-4,6-diamine
SMILESCCC(CC)Nc1cc(N)nc(Cl)n1
InChIInChI=1S/C9H15ClN4/c1-3-6(4-2)12-8-5-7(11)13-9(10)14-8/h5-6H,3-4H2,1-2H3,(H3,11,12,13,14)
InChIKeyVOIKJMJYSGKGQS-UHFFFAOYSA-N
MW214.70 g/mol
LogP2.31
Rot. Bonds4

About 2-chloro-4-N-pentan-3-ylpyrimidine-4,6-diamine

2-chloro-4-N-pentan-3-ylpyrimidine-4,6-diamine (PubChem CID 87084099) has the molecular formula C9H15ClN4 and a molecular weight of 214.70 g/mol. Its IUPAC name is 2-chloro-4-N-pentan-3-ylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name2-chloro-4-N-pentan-3-ylpyrimidine-4,6-diamine
PubChem CID87084099
Molecular FormulaC9H15ClN4
Molecular Weight214.70 g/mol
Exact Mass214.10
IUPAC Name2-chloro-4-N-pentan-3-ylpyrimidine-4,6-diamine
SMILESCCC(CC)Nc1cc(N)nc(Cl)n1
InChIInChI=1S/C9H15ClN4/c1-3-6(4-2)12-8-5-7(11)13-9(10)14-8/h5-6H,3-4H2,1-2H3,(H3,11,12,13,14)
InChIKeyVOIKJMJYSGKGQS-UHFFFAOYSA-N
XLogP2.31
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.70
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-N-pentan-3-ylpyrimidine-4,6-diamine?
The IUPAC name of 2-chloro-4-N-pentan-3-ylpyrimidine-4,6-diamine (CID 87084099) is 2-chloro-4-N-pentan-3-ylpyrimidine-4,6-diamine.
What is the SMILES notation for 2-chloro-4-N-pentan-3-ylpyrimidine-4,6-diamine?
The canonical SMILES for 2-chloro-4-N-pentan-3-ylpyrimidine-4,6-diamine is CCC(CC)Nc1cc(N)nc(Cl)n1.
What is the InChIKey of 2-chloro-4-N-pentan-3-ylpyrimidine-4,6-diamine?
The InChIKey is VOIKJMJYSGKGQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15ClN4/c1-3-6(4-2)12-8-5-7(11)13-9(10)14-8/h5-6H,3-4H2,1-2H3,(H3,11,12,13,14).
What are the key properties of 2-chloro-4-N-pentan-3-ylpyrimidine-4,6-diamine?
2-chloro-4-N-pentan-3-ylpyrimidine-4,6-diamine has a molecular weight of 214.70 g/mol, XLogP of 2.31, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-N-pentan-3-ylpyrimidine-4,6-diamine is sourced from PubChem (CID 87084099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).