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

C11H20ClN5 — CID 80845870

IUPAC5-chloro-4-N-[3-(dimethylamino)propyl]-2-N,4-N-dimethylpyrimidine-2,4-diamine
SMILESCNc1ncc(Cl)c(N(C)CCCN(C)C)n1
InChIInChI=1S/C11H20ClN5/c1-13-11-14-8-9(12)10(15-11)17(4)7-5-6-16(2)3/h8H,5-7H2,1-4H3,(H,13,14,15)
InChIKeyRFGDREKGQPBOGS-UHFFFAOYSA-N
MW257.77 g/mol
LogP1.56
Rot. Bonds6

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

5-chloro-4-N-[3-(dimethylamino)propyl]-2-N,4-N-dimethylpyrimidine-2,4-diamine (PubChem CID 80845870) has the molecular formula C11H20ClN5 and a molecular weight of 257.77 g/mol. Its IUPAC name is 5-chloro-4-N-[3-(dimethylamino)propyl]-2-N,4-N-dimethylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-chloro-4-N-[3-(dimethylamino)propyl]-2-N,4-N-dimethylpyrimidine-2,4-diamine
PubChem CID80845870
Molecular FormulaC11H20ClN5
Molecular Weight257.77 g/mol
Exact Mass257.14
IUPAC Name5-chloro-4-N-[3-(dimethylamino)propyl]-2-N,4-N-dimethylpyrimidine-2,4-diamine
SMILESCNc1ncc(Cl)c(N(C)CCCN(C)C)n1
InChIInChI=1S/C11H20ClN5/c1-13-11-14-8-9(12)10(15-11)17(4)7-5-6-16(2)3/h8H,5-7H2,1-4H3,(H,13,14,15)
InChIKeyRFGDREKGQPBOGS-UHFFFAOYSA-N
XLogP1.56
TPSA44.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.77
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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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-bromo-4-N-[3-(dimethylamino)propyl]-2-N,4-N-dimethylpyrimidine-2,4-diamine
CID 80845628
5-chloro-2-N,4-N-dimethyl-4-N-(2-methylsulfanylethyl)pyrimidine-2,4-diamine
CID 112667666
5-chloro-4-N-(2-methoxyethyl)-2-N,4-N-dimethylpyrimidine-2,4-diamine
CID 80796727
5-chloro-2-N,4-N-dimethyl-4-N-(2-pyrrolidin-1-ylethyl)pyrimidine-2,4-diamine
CID 80829025
5-chloro-2-N,4-N-dimethyl-4-N-[(2-methylcyclopropyl)methyl]pyrimidine-2,4-diamine
CID 80839936
5-chloro-2-hydrazinyl-N-(3-methoxypropyl)-N-methylpyrimidin-4-amine
CID 80913814
5-chloro-2-N,4-N-dimethyl-4-N-[(1-methylpyrazol-4-yl)methyl]pyrimidine-2,4-diamine
CID 80799540
2-[[5-chloro-2-(methylamino)pyrimidin-4-yl]-methylamino]-N-cyclopropylacetamide
CID 80821198
5-chloro-4-N,4-N-bis(2-ethoxyethyl)-2-N-methylpyrimidine-2,4-diamine
CID 82952991
5-chloro-4-N-(2-methoxyethyl)-2-N-methyl-4-N-pentan-3-ylpyrimidine-2,4-diamine
CID 80821249
4-N-[3-(dimethylamino)propyl]-4-N,5-dimethyl-2-N-propylpyrimidine-2,4-diamine
CID 80845968

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-N-[3-(dimethylamino)propyl]-2-N,4-N-dimethylpyrimidine-2,4-diamine?
The IUPAC name of 5-chloro-4-N-[3-(dimethylamino)propyl]-2-N,4-N-dimethylpyrimidine-2,4-diamine (CID 80845870) is 5-chloro-4-N-[3-(dimethylamino)propyl]-2-N,4-N-dimethylpyrimidine-2,4-diamine.
What is the SMILES notation for 5-chloro-4-N-[3-(dimethylamino)propyl]-2-N,4-N-dimethylpyrimidine-2,4-diamine?
The canonical SMILES for 5-chloro-4-N-[3-(dimethylamino)propyl]-2-N,4-N-dimethylpyrimidine-2,4-diamine is CNc1ncc(Cl)c(N(C)CCCN(C)C)n1.
What is the InChIKey of 5-chloro-4-N-[3-(dimethylamino)propyl]-2-N,4-N-dimethylpyrimidine-2,4-diamine?
The InChIKey is RFGDREKGQPBOGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20ClN5/c1-13-11-14-8-9(12)10(15-11)17(4)7-5-6-16(2)3/h8H,5-7H2,1-4H3,(H,13,14,15).
What are the key properties of 5-chloro-4-N-[3-(dimethylamino)propyl]-2-N,4-N-dimethylpyrimidine-2,4-diamine?
5-chloro-4-N-[3-(dimethylamino)propyl]-2-N,4-N-dimethylpyrimidine-2,4-diamine has a molecular weight of 257.77 g/mol, XLogP of 1.56, 6 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]-2-N,4-N-dimethylpyrimidine-2,4-diamine is sourced from PubChem (CID 80845870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).