5-chloro-4-N-[3-(dimethylamino)propyl]-4-N-methyl-2-N-propylpyrimidine-2,4-diamine

C13H24ClN5 — CID 80846421

IUPAC5-chloro-4-N-[3-(dimethylamino)propyl]-4-N-methyl-2-N-propylpyrimidine-2,4-diamine
SMILESCCCNc1ncc(Cl)c(N(C)CCCN(C)C)n1
InChIInChI=1S/C13H24ClN5/c1-5-7-15-13-16-10-11(14)12(17-13)19(4)9-6-8-18(2)3/h10H,5-9H2,1-4H3,(H,15,16,17)
InChIKeyNNKHPAAOIGOFSN-UHFFFAOYSA-N
MW285.82 g/mol
LogP2.34
Rot. Bonds8

About 5-chloro-4-N-[3-(dimethylamino)propyl]-4-N-methyl-2-N-propylpyrimidine-2,4-diamine

5-chloro-4-N-[3-(dimethylamino)propyl]-4-N-methyl-2-N-propylpyrimidine-2,4-diamine (PubChem CID 80846421) has the molecular formula C13H24ClN5 and a molecular weight of 285.82 g/mol. Its IUPAC name is 5-chloro-4-N-[3-(dimethylamino)propyl]-4-N-methyl-2-N-propylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-chloro-4-N-[3-(dimethylamino)propyl]-4-N-methyl-2-N-propylpyrimidine-2,4-diamine
PubChem CID80846421
Molecular FormulaC13H24ClN5
Molecular Weight285.82 g/mol
Exact Mass285.17
IUPAC Name5-chloro-4-N-[3-(dimethylamino)propyl]-4-N-methyl-2-N-propylpyrimidine-2,4-diamine
SMILESCCCNc1ncc(Cl)c(N(C)CCCN(C)C)n1
InChIInChI=1S/C13H24ClN5/c1-5-7-15-13-16-10-11(14)12(17-13)19(4)9-6-8-18(2)3/h10H,5-9H2,1-4H3,(H,15,16,17)
InChIKeyNNKHPAAOIGOFSN-UHFFFAOYSA-N
XLogP2.34
TPSA44.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.82
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-N-[3-(dimethylamino)propyl]-4-N,5-dimethyl-2-N-propylpyrimidine-2,4-diamine
CID 80845968
5-chloro-4-N-[3-(dimethylamino)propyl]-2-N,4-N-dimethylpyrimidine-2,4-diamine
CID 80845870
5-chloro-4-N-methyl-2-N-propyl-4-N-(2-pyrrolidin-1-ylethyl)pyrimidine-2,4-diamine
CID 80828144
5-chloro-2-N,4-N,4-N-tripropylpyrimidine-2,4-diamine
CID 80764996
4-N-[2-(dimethylamino)ethyl]-4-N,5-dimethyl-2-N-propylpyrimidine-2,4-diamine
CID 80845865
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-methoxyphenyl)-4-N-methyl-2-N-propylpyrimidine-2,4-diamine
CID 80796240
5-chloro-4-N-(2-ethoxyethyl)-2-N-ethyl-4-N-methylpyrimidine-2,4-diamine
CID 81067674
5-chloro-4-N-ethyl-4-N-phenyl-2-N-propylpyrimidine-2,4-diamine
CID 80755875

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-N-[3-(dimethylamino)propyl]-4-N-methyl-2-N-propylpyrimidine-2,4-diamine?
The IUPAC name of 5-chloro-4-N-[3-(dimethylamino)propyl]-4-N-methyl-2-N-propylpyrimidine-2,4-diamine (CID 80846421) is 5-chloro-4-N-[3-(dimethylamino)propyl]-4-N-methyl-2-N-propylpyrimidine-2,4-diamine.
What is the SMILES notation for 5-chloro-4-N-[3-(dimethylamino)propyl]-4-N-methyl-2-N-propylpyrimidine-2,4-diamine?
The canonical SMILES for 5-chloro-4-N-[3-(dimethylamino)propyl]-4-N-methyl-2-N-propylpyrimidine-2,4-diamine is CCCNc1ncc(Cl)c(N(C)CCCN(C)C)n1.
What is the InChIKey of 5-chloro-4-N-[3-(dimethylamino)propyl]-4-N-methyl-2-N-propylpyrimidine-2,4-diamine?
The InChIKey is NNKHPAAOIGOFSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24ClN5/c1-5-7-15-13-16-10-11(14)12(17-13)19(4)9-6-8-18(2)3/h10H,5-9H2,1-4H3,(H,15,16,17).
What are the key properties of 5-chloro-4-N-[3-(dimethylamino)propyl]-4-N-methyl-2-N-propylpyrimidine-2,4-diamine?
5-chloro-4-N-[3-(dimethylamino)propyl]-4-N-methyl-2-N-propylpyrimidine-2,4-diamine has a molecular weight of 285.82 g/mol, XLogP of 2.34, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-N-[3-(dimethylamino)propyl]-4-N-methyl-2-N-propylpyrimidine-2,4-diamine is sourced from PubChem (CID 80846421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).