5-chloro-4-N-ethyl-4-N-phenyl-2-N-propylpyrimidine-2,4-diamine

C15H19ClN4 — CID 80755875

IUPAC5-chloro-4-N-ethyl-4-N-phenyl-2-N-propylpyrimidine-2,4-diamine
SMILESCCCNc1ncc(Cl)c(N(CC)c2ccccc2)n1
InChIInChI=1S/C15H19ClN4/c1-3-10-17-15-18-11-13(16)14(19-15)20(4-2)12-8-6-5-7-9-12/h5-9,11H,3-4,10H2,1-2H3,(H,17,18,19)
InChIKeyUZLZERYQYWXRMH-UHFFFAOYSA-N
MW290.80 g/mol
LogP4.11
Rot. Bonds6

About 5-chloro-4-N-ethyl-4-N-phenyl-2-N-propylpyrimidine-2,4-diamine

5-chloro-4-N-ethyl-4-N-phenyl-2-N-propylpyrimidine-2,4-diamine (PubChem CID 80755875) has the molecular formula C15H19ClN4 and a molecular weight of 290.80 g/mol. Its IUPAC name is 5-chloro-4-N-ethyl-4-N-phenyl-2-N-propylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-chloro-4-N-ethyl-4-N-phenyl-2-N-propylpyrimidine-2,4-diamine
PubChem CID80755875
Molecular FormulaC15H19ClN4
Molecular Weight290.80 g/mol
Exact Mass290.13
IUPAC Name5-chloro-4-N-ethyl-4-N-phenyl-2-N-propylpyrimidine-2,4-diamine
SMILESCCCNc1ncc(Cl)c(N(CC)c2ccccc2)n1
InChIInChI=1S/C15H19ClN4/c1-3-10-17-15-18-11-13(16)14(19-15)20(4-2)12-8-6-5-7-9-12/h5-9,11H,3-4,10H2,1-2H3,(H,17,18,19)
InChIKeyUZLZERYQYWXRMH-UHFFFAOYSA-N
XLogP4.11
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.80
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-2-N,4-N-diethyl-4-N-(4-methylphenyl)pyrimidine-2,4-diamine
CID 80817817
5-chloro-2-N,4-N,4-N-tripropylpyrimidine-2,4-diamine
CID 80764996
5-chloro-4-N-(2-methoxyphenyl)-4-N-methyl-2-N-propylpyrimidine-2,4-diamine
CID 80796240
5-chloro-4-N-phenyl-2-N-propylpyrimidine-2,4-diamine
CID 80768239
5-chloro-4-N-methyl-4-N-(4-methylpentan-2-yl)-2-N-propylpyrimidine-2,4-diamine
CID 80810330
5-chloro-4-N-[3-(dimethylamino)propyl]-4-N-methyl-2-N-propylpyrimidine-2,4-diamine
CID 80846421
5-bromo-4-N-ethyl-4-N-(2-methylphenyl)-2-N-propylpyrimidine-2,4-diamine
CID 80757604
5-chloro-4-N-methyl-4-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-2-N-propylpyrimidine-2,4-diamine
CID 80838918
5-chloro-4-N-[(2-chlorophenyl)methyl]-2-N-propylpyrimidine-2,4-diamine
CID 80786539
5-chloro-4-N-cyclopropyl-4-N-(cyclopropylmethyl)-2-N-propylpyrimidine-2,4-diamine
CID 80844922
6-N-ethyl-6-N-phenyl-2-N-propylpyridine-2,6-diamine
CID 80755878
2-N-ethyl-2-N-phenyl-6-N-propylpyrazine-2,6-diamine
CID 80756431

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-N-ethyl-4-N-phenyl-2-N-propylpyrimidine-2,4-diamine?
The IUPAC name of 5-chloro-4-N-ethyl-4-N-phenyl-2-N-propylpyrimidine-2,4-diamine (CID 80755875) is 5-chloro-4-N-ethyl-4-N-phenyl-2-N-propylpyrimidine-2,4-diamine.
What is the SMILES notation for 5-chloro-4-N-ethyl-4-N-phenyl-2-N-propylpyrimidine-2,4-diamine?
The canonical SMILES for 5-chloro-4-N-ethyl-4-N-phenyl-2-N-propylpyrimidine-2,4-diamine is CCCNc1ncc(Cl)c(N(CC)c2ccccc2)n1.
What is the InChIKey of 5-chloro-4-N-ethyl-4-N-phenyl-2-N-propylpyrimidine-2,4-diamine?
The InChIKey is UZLZERYQYWXRMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN4/c1-3-10-17-15-18-11-13(16)14(19-15)20(4-2)12-8-6-5-7-9-12/h5-9,11H,3-4,10H2,1-2H3,(H,17,18,19).
What are the key properties of 5-chloro-4-N-ethyl-4-N-phenyl-2-N-propylpyrimidine-2,4-diamine?
5-chloro-4-N-ethyl-4-N-phenyl-2-N-propylpyrimidine-2,4-diamine has a molecular weight of 290.80 g/mol, XLogP of 4.11, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-N-ethyl-4-N-phenyl-2-N-propylpyrimidine-2,4-diamine is sourced from PubChem (CID 80755875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).