6-chloro-4-N,4-N-dipropylpyrimidine-2,4-diamine

C10H17ClN4 — CID 1484284

IUPAC6-chloro-4-N,4-N-dipropylpyrimidine-2,4-diamine
SMILESCCCN(CCC)c1cc(Cl)nc(N)n1
InChIInChI=1S/C10H17ClN4/c1-3-5-15(6-4-2)9-7-8(11)13-10(12)14-9/h7H,3-6H2,1-2H3,(H2,12,13,14)
InChIKeyCZDMBWALBCIKFR-UHFFFAOYSA-N
MW228.73 g/mol
LogP2.34
Rot. Bonds5

About 6-chloro-4-N,4-N-dipropylpyrimidine-2,4-diamine

6-chloro-4-N,4-N-dipropylpyrimidine-2,4-diamine (PubChem CID 1484284) has the molecular formula C10H17ClN4 and a molecular weight of 228.73 g/mol. Its IUPAC name is 6-chloro-4-N,4-N-dipropylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name6-chloro-4-N,4-N-dipropylpyrimidine-2,4-diamine
PubChem CID1484284
Molecular FormulaC10H17ClN4
Molecular Weight228.73 g/mol
Exact Mass228.11
IUPAC Name6-chloro-4-N,4-N-dipropylpyrimidine-2,4-diamine
SMILESCCCN(CCC)c1cc(Cl)nc(N)n1
InChIInChI=1S/C10H17ClN4/c1-3-5-15(6-4-2)9-7-8(11)13-10(12)14-9/h7H,3-6H2,1-2H3,(H2,12,13,14)
InChIKeyCZDMBWALBCIKFR-UHFFFAOYSA-N
XLogP2.34
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.73
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-4-N,4-N-dipropylpyrimidine-2,4-diamine?
The IUPAC name of 6-chloro-4-N,4-N-dipropylpyrimidine-2,4-diamine (CID 1484284) is 6-chloro-4-N,4-N-dipropylpyrimidine-2,4-diamine.
What is the SMILES notation for 6-chloro-4-N,4-N-dipropylpyrimidine-2,4-diamine?
The canonical SMILES for 6-chloro-4-N,4-N-dipropylpyrimidine-2,4-diamine is CCCN(CCC)c1cc(Cl)nc(N)n1.
What is the InChIKey of 6-chloro-4-N,4-N-dipropylpyrimidine-2,4-diamine?
The InChIKey is CZDMBWALBCIKFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17ClN4/c1-3-5-15(6-4-2)9-7-8(11)13-10(12)14-9/h7H,3-6H2,1-2H3,(H2,12,13,14).
What are the key properties of 6-chloro-4-N,4-N-dipropylpyrimidine-2,4-diamine?
6-chloro-4-N,4-N-dipropylpyrimidine-2,4-diamine has a molecular weight of 228.73 g/mol, XLogP of 2.34, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-4-N,4-N-dipropylpyrimidine-2,4-diamine is sourced from PubChem (CID 1484284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).