5-chloro-4-N-methyl-2-N-propyl-4-N-(2-pyrrolidin-1-ylethyl)pyrimidine-2,4-diamine

C14H24ClN5 — CID 80828144

IUPAC5-chloro-4-N-methyl-2-N-propyl-4-N-(2-pyrrolidin-1-ylethyl)pyrimidine-2,4-diamine
SMILESCCCNc1ncc(Cl)c(N(C)CCN2CCCC2)n1
InChIInChI=1S/C14H24ClN5/c1-3-6-16-14-17-11-12(15)13(18-14)19(2)9-10-20-7-4-5-8-20/h11H,3-10H2,1-2H3,(H,16,17,18)
InChIKeyUMAWUASPQATKCB-UHFFFAOYSA-N
MW297.83 g/mol
LogP2.48
Rot. Bonds7

About 5-chloro-4-N-methyl-2-N-propyl-4-N-(2-pyrrolidin-1-ylethyl)pyrimidine-2,4-diamine

5-chloro-4-N-methyl-2-N-propyl-4-N-(2-pyrrolidin-1-ylethyl)pyrimidine-2,4-diamine (PubChem CID 80828144) has the molecular formula C14H24ClN5 and a molecular weight of 297.83 g/mol. Its IUPAC name is 5-chloro-4-N-methyl-2-N-propyl-4-N-(2-pyrrolidin-1-ylethyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-chloro-4-N-methyl-2-N-propyl-4-N-(2-pyrrolidin-1-ylethyl)pyrimidine-2,4-diamine
PubChem CID80828144
Molecular FormulaC14H24ClN5
Molecular Weight297.83 g/mol
Exact Mass297.17
IUPAC Name5-chloro-4-N-methyl-2-N-propyl-4-N-(2-pyrrolidin-1-ylethyl)pyrimidine-2,4-diamine
SMILESCCCNc1ncc(Cl)c(N(C)CCN2CCCC2)n1
InChIInChI=1S/C14H24ClN5/c1-3-6-16-14-17-11-12(15)13(18-14)19(2)9-10-20-7-4-5-8-20/h11H,3-10H2,1-2H3,(H,16,17,18)
InChIKeyUMAWUASPQATKCB-UHFFFAOYSA-N
XLogP2.48
TPSA44.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.83
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-chloro-2-N,4-N-dimethyl-4-N-(2-pyrrolidin-1-ylethyl)pyrimidine-2,4-diamine
CID 80829025
5-chloro-2-hydrazinyl-N-methyl-N-(2-pyrrolidin-1-ylethyl)pyrimidin-4-amine
CID 80914641
5-chloro-4-N-[3-(dimethylamino)propyl]-4-N-methyl-2-N-propylpyrimidine-2,4-diamine
CID 80846421
5-chloro-2-N,4-N,4-N-tripropylpyrimidine-2,4-diamine
CID 80764996
5-chloro-4-N-methyl-4-N-(1-methylpiperidin-3-yl)-2-N-propylpyrimidine-2,4-diamine
CID 80832102
5-chloro-4-piperidin-1-yl-N-propylpyrimidin-2-amine
CID 80764211
3-[[5-chloro-2-(propylamino)pyrimidin-4-yl]-methylamino]-2-methylpropanenitrile
CID 80810662
1-[[5-chloro-2-(propylamino)pyrimidin-4-yl]-methylamino]-3-methoxypropan-2-ol
CID 80810389
5-chloro-4-N-methyl-4-N-(4-methylpentan-2-yl)-2-N-propylpyrimidine-2,4-diamine
CID 80810330
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-morpholin-4-ylethyl)-2-N-propylpyrimidine-2,4-diamine
CID 80777687
4-N-[2-(dimethylamino)ethyl]-4-N,5-dimethyl-2-N-propylpyrimidine-2,4-diamine
CID 80845865

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-N-methyl-2-N-propyl-4-N-(2-pyrrolidin-1-ylethyl)pyrimidine-2,4-diamine?
The IUPAC name of 5-chloro-4-N-methyl-2-N-propyl-4-N-(2-pyrrolidin-1-ylethyl)pyrimidine-2,4-diamine (CID 80828144) is 5-chloro-4-N-methyl-2-N-propyl-4-N-(2-pyrrolidin-1-ylethyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 5-chloro-4-N-methyl-2-N-propyl-4-N-(2-pyrrolidin-1-ylethyl)pyrimidine-2,4-diamine?
The canonical SMILES for 5-chloro-4-N-methyl-2-N-propyl-4-N-(2-pyrrolidin-1-ylethyl)pyrimidine-2,4-diamine is CCCNc1ncc(Cl)c(N(C)CCN2CCCC2)n1.
What is the InChIKey of 5-chloro-4-N-methyl-2-N-propyl-4-N-(2-pyrrolidin-1-ylethyl)pyrimidine-2,4-diamine?
The InChIKey is UMAWUASPQATKCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24ClN5/c1-3-6-16-14-17-11-12(15)13(18-14)19(2)9-10-20-7-4-5-8-20/h11H,3-10H2,1-2H3,(H,16,17,18).
What are the key properties of 5-chloro-4-N-methyl-2-N-propyl-4-N-(2-pyrrolidin-1-ylethyl)pyrimidine-2,4-diamine?
5-chloro-4-N-methyl-2-N-propyl-4-N-(2-pyrrolidin-1-ylethyl)pyrimidine-2,4-diamine has a molecular weight of 297.83 g/mol, XLogP of 2.48, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-N-methyl-2-N-propyl-4-N-(2-pyrrolidin-1-ylethyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 80828144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).