5-chloro-2-N,4-N,4-N-tripropylpyrimidine-2,4-diamine

C13H23ClN4 — CID 80764996

IUPAC5-chloro-2-N,4-N,4-N-tripropylpyrimidine-2,4-diamine
SMILESCCCNc1ncc(Cl)c(N(CCC)CCC)n1
InChIInChI=1S/C13H23ClN4/c1-4-7-15-13-16-10-11(14)12(17-13)18(8-5-2)9-6-3/h10H,4-9H2,1-3H3,(H,15,16,17)
InChIKeyPOHPMGYIIXZEDS-UHFFFAOYSA-N
MW270.81 g/mol
LogP3.58
Rot. Bonds8

About 5-chloro-2-N,4-N,4-N-tripropylpyrimidine-2,4-diamine

5-chloro-2-N,4-N,4-N-tripropylpyrimidine-2,4-diamine (PubChem CID 80764996) has the molecular formula C13H23ClN4 and a molecular weight of 270.81 g/mol. Its IUPAC name is 5-chloro-2-N,4-N,4-N-tripropylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-chloro-2-N,4-N,4-N-tripropylpyrimidine-2,4-diamine
PubChem CID80764996
Molecular FormulaC13H23ClN4
Molecular Weight270.81 g/mol
Exact Mass270.16
IUPAC Name5-chloro-2-N,4-N,4-N-tripropylpyrimidine-2,4-diamine
SMILESCCCNc1ncc(Cl)c(N(CCC)CCC)n1
InChIInChI=1S/C13H23ClN4/c1-4-7-15-13-16-10-11(14)12(17-13)18(8-5-2)9-6-3/h10H,4-9H2,1-3H3,(H,15,16,17)
InChIKeyPOHPMGYIIXZEDS-UHFFFAOYSA-N
XLogP3.58
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.81
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-4-N-[3-(dimethylamino)propyl]-4-N-methyl-2-N-propylpyrimidine-2,4-diamine
CID 80846421
5-chloro-4-N-methyl-4-N-(4-methylpentan-2-yl)-2-N-propylpyrimidine-2,4-diamine
CID 80810330
5-chloro-2-N-ethyl-4-N,4-N-bis(2-methoxyethyl)pyrimidine-2,4-diamine
CID 80795233
5-chloro-4-N-ethyl-4-N-phenyl-2-N-propylpyrimidine-2,4-diamine
CID 80755875
2-[[5-chloro-2-(ethylamino)pyrimidin-4-yl]-propylamino]-N,N-dimethylacetamide
CID 80806625
5-chloro-4-N-methyl-2-N-propyl-4-N-(2-pyrrolidin-1-ylethyl)pyrimidine-2,4-diamine
CID 80828144
5-chloro-4-N-cyclopropyl-4-N-(cyclopropylmethyl)-2-N-propylpyrimidine-2,4-diamine
CID 80844922
3-[[5-chloro-2-(propylamino)pyrimidin-4-yl]-methylamino]-2-methylpropanenitrile
CID 80810662
5-chloro-4-N-(cyclopropylmethyl)-2-N-methyl-4-N-propylpyrimidine-2,4-diamine
CID 80799164
1-[[5-chloro-2-(propylamino)pyrimidin-4-yl]-methylamino]-3-methoxypropan-2-ol
CID 80810389
5-chloro-4-N-(2-methoxyphenyl)-4-N-methyl-2-N-propylpyrimidine-2,4-diamine
CID 80796240
5-chloro-4-N-octyl-2-N-propylpyrimidine-2,4-diamine
CID 115565369

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-N,4-N,4-N-tripropylpyrimidine-2,4-diamine?
The IUPAC name of 5-chloro-2-N,4-N,4-N-tripropylpyrimidine-2,4-diamine (CID 80764996) is 5-chloro-2-N,4-N,4-N-tripropylpyrimidine-2,4-diamine.
What is the SMILES notation for 5-chloro-2-N,4-N,4-N-tripropylpyrimidine-2,4-diamine?
The canonical SMILES for 5-chloro-2-N,4-N,4-N-tripropylpyrimidine-2,4-diamine is CCCNc1ncc(Cl)c(N(CCC)CCC)n1.
What is the InChIKey of 5-chloro-2-N,4-N,4-N-tripropylpyrimidine-2,4-diamine?
The InChIKey is POHPMGYIIXZEDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23ClN4/c1-4-7-15-13-16-10-11(14)12(17-13)18(8-5-2)9-6-3/h10H,4-9H2,1-3H3,(H,15,16,17).
What are the key properties of 5-chloro-2-N,4-N,4-N-tripropylpyrimidine-2,4-diamine?
5-chloro-2-N,4-N,4-N-tripropylpyrimidine-2,4-diamine has a molecular weight of 270.81 g/mol, XLogP of 3.58, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-N,4-N,4-N-tripropylpyrimidine-2,4-diamine is sourced from PubChem (CID 80764996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).