N-(2,5-dichlorophenyl)-4-(4-methylpiperazin-1-yl)pyrimidin-2-amine

C15H17Cl2N5 — CID 112888061

IUPACN-(2,5-dichlorophenyl)-4-(4-methylpiperazin-1-yl)pyrimidin-2-amine
SMILESCN1CCN(c2ccnc(Nc3cc(Cl)ccc3Cl)n2)CC1
InChIInChI=1S/C15H17Cl2N5/c1-21-6-8-22(9-7-21)14-4-5-18-15(20-14)19-13-10-11(16)2-3-12(13)17/h2-5,10H,6-9H2,1H3,(H,18,19,20)
InChIKeyBCAFABDXNXHMRQ-UHFFFAOYSA-N
MW338.24 g/mol
LogP3.28
Rot. Bonds3

About N-(2,5-dichlorophenyl)-4-(4-methylpiperazin-1-yl)pyrimidin-2-amine

N-(2,5-dichlorophenyl)-4-(4-methylpiperazin-1-yl)pyrimidin-2-amine (PubChem CID 112888061) has the molecular formula C15H17Cl2N5 and a molecular weight of 338.24 g/mol. Its IUPAC name is N-(2,5-dichlorophenyl)-4-(4-methylpiperazin-1-yl)pyrimidin-2-amine.

Molecular Properties

Compound NameN-(2,5-dichlorophenyl)-4-(4-methylpiperazin-1-yl)pyrimidin-2-amine
PubChem CID112888061
Molecular FormulaC15H17Cl2N5
Molecular Weight338.24 g/mol
Exact Mass337.09
IUPAC NameN-(2,5-dichlorophenyl)-4-(4-methylpiperazin-1-yl)pyrimidin-2-amine
SMILESCN1CCN(c2ccnc(Nc3cc(Cl)ccc3Cl)n2)CC1
InChIInChI=1S/C15H17Cl2N5/c1-21-6-8-22(9-7-21)14-4-5-18-15(20-14)19-13-10-11(16)2-3-12(13)17/h2-5,10H,6-9H2,1H3,(H,18,19,20)
InChIKeyBCAFABDXNXHMRQ-UHFFFAOYSA-N
XLogP3.28
TPSA44.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.24
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(5-chloro-2-methoxyphenyl)-4-(4-methylpiperazin-1-yl)pyrimidin-2-amine
CID 112888006
N-(2,5-dichlorophenyl)-4-morpholin-4-ylpyrimidin-2-amine
CID 112886524
N-(5-chloro-2-methoxyphenyl)-4-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-2-amine
CID 112898946
N-(3-chloro-4-methoxyphenyl)-4-(4-methylpiperazin-1-yl)pyrimidin-2-amine
CID 112888005
N-(2-tert-butylphenyl)-4-(4-methylpiperazin-1-yl)pyrimidin-2-amine
CID 112887993
N-(2-methoxy-5-methylphenyl)-4-(4-methylpiperazin-1-yl)pyrimidin-2-amine
CID 112888014
N-(2-chlorophenyl)-4-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-2-amine
CID 112898936
methyl 4-chloro-3-[[4-(4-formylpiperazin-1-yl)pyrimidin-2-yl]amino]benzoate
CID 112888629
methyl 4-chloro-3-[[4-(4-methylpiperidin-1-yl)pyrimidin-2-yl]amino]benzoate
CID 112885194
4-[2-(2,5-dichloroanilino)-6-methylpyrimidin-4-yl]piperazine-1-carbaldehyde
CID 112914627
N-(2-chlorophenyl)-4-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine
CID 112913869
N-(2,5-dichlorophenyl)-4-(trifluoromethyl)pyrimidin-2-amine
CID 154454877

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dichlorophenyl)-4-(4-methylpiperazin-1-yl)pyrimidin-2-amine?
The IUPAC name of N-(2,5-dichlorophenyl)-4-(4-methylpiperazin-1-yl)pyrimidin-2-amine (CID 112888061) is N-(2,5-dichlorophenyl)-4-(4-methylpiperazin-1-yl)pyrimidin-2-amine.
What is the SMILES notation for N-(2,5-dichlorophenyl)-4-(4-methylpiperazin-1-yl)pyrimidin-2-amine?
The canonical SMILES for N-(2,5-dichlorophenyl)-4-(4-methylpiperazin-1-yl)pyrimidin-2-amine is CN1CCN(c2ccnc(Nc3cc(Cl)ccc3Cl)n2)CC1.
What is the InChIKey of N-(2,5-dichlorophenyl)-4-(4-methylpiperazin-1-yl)pyrimidin-2-amine?
The InChIKey is BCAFABDXNXHMRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17Cl2N5/c1-21-6-8-22(9-7-21)14-4-5-18-15(20-14)19-13-10-11(16)2-3-12(13)17/h2-5,10H,6-9H2,1H3,(H,18,19,20).
What are the key properties of N-(2,5-dichlorophenyl)-4-(4-methylpiperazin-1-yl)pyrimidin-2-amine?
N-(2,5-dichlorophenyl)-4-(4-methylpiperazin-1-yl)pyrimidin-2-amine has a molecular weight of 338.24 g/mol, XLogP of 3.28, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dichlorophenyl)-4-(4-methylpiperazin-1-yl)pyrimidin-2-amine is sourced from PubChem (CID 112888061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).