N-[2-(4-chlorophenoxy)propyl]-5-methylpyrimidin-2-amine

C14H16ClN3O — CID 133403569

IUPACN-[2-(4-chlorophenoxy)propyl]-5-methylpyrimidin-2-amine
SMILESCc1cnc(NCC(C)Oc2ccc(Cl)cc2)nc1
InChIInChI=1S/C14H16ClN3O/c1-10-7-16-14(17-8-10)18-9-11(2)19-13-5-3-12(15)4-6-13/h3-8,11H,9H2,1-2H3,(H,16,17,18)
InChIKeyHKGDEFPKUKFEFK-UHFFFAOYSA-N
MW277.76 g/mol
LogP3.32
Rot. Bonds5

About N-[2-(4-chlorophenoxy)propyl]-5-methylpyrimidin-2-amine

N-[2-(4-chlorophenoxy)propyl]-5-methylpyrimidin-2-amine (PubChem CID 133403569) has the molecular formula C14H16ClN3O and a molecular weight of 277.76 g/mol. Its IUPAC name is N-[2-(4-chlorophenoxy)propyl]-5-methylpyrimidin-2-amine.

Molecular Properties

Compound NameN-[2-(4-chlorophenoxy)propyl]-5-methylpyrimidin-2-amine
PubChem CID133403569
Molecular FormulaC14H16ClN3O
Molecular Weight277.76 g/mol
Exact Mass277.10
IUPAC NameN-[2-(4-chlorophenoxy)propyl]-5-methylpyrimidin-2-amine
SMILESCc1cnc(NCC(C)Oc2ccc(Cl)cc2)nc1
InChIInChI=1S/C14H16ClN3O/c1-10-7-16-14(17-8-10)18-9-11(2)19-13-5-3-12(15)4-6-13/h3-8,11H,9H2,1-2H3,(H,16,17,18)
InChIKeyHKGDEFPKUKFEFK-UHFFFAOYSA-N
XLogP3.32
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.76
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-Amino-2-(4-chlorophenoxy)pyrimidine-5-carbonitrile
CID 2800980
2-(4-chlorophenoxy)-N-(pyrimidin-2-yl)acetamide
CID 686157
4-[1-(4-Chlorophenoxy)ethyl]pyrimidin-2-amine
CID 4271606
BW 48-122
CID 72999
2-(4-chlorophenoxy)-N-(4-methylpyrimidin-2-yl)acetamide
CID 1094212
2-(4-chlorophenoxy)-2-methyl-N-(pyrimidin-2-yl)propanamide
CID 596278
2-(2,4-dichlorophenoxy)-N-pyrimidin-2-ylpropanamide
CID 2862668
US11104670, Example 24
CID 146522658
2-(4-chlorophenoxy)-N-(pyrimidin-2-yl)propanamide
CID 655197
1-(3,4-Dichlorophenoxy)-3-({2-[(5-propylpyrimidin-2-yl)amino]ethyl}amino)propan-2-ol
CID 2796064
1-[(4-Amino-2-methylpyrimidin-5-yl)methyl]-3-[(4-chlorophenoxy)methyl]urea
CID 86290997
N-[(4-amino-2-methylpyrimidin-5-yl)methyl]-2-(2,4-dichlorophenoxy)acetamide
CID 90681717

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenoxy)propyl]-5-methylpyrimidin-2-amine?
The IUPAC name of N-[2-(4-chlorophenoxy)propyl]-5-methylpyrimidin-2-amine (CID 133403569) is N-[2-(4-chlorophenoxy)propyl]-5-methylpyrimidin-2-amine.
What is the SMILES notation for N-[2-(4-chlorophenoxy)propyl]-5-methylpyrimidin-2-amine?
The canonical SMILES for N-[2-(4-chlorophenoxy)propyl]-5-methylpyrimidin-2-amine is Cc1cnc(NCC(C)Oc2ccc(Cl)cc2)nc1.
What is the InChIKey of N-[2-(4-chlorophenoxy)propyl]-5-methylpyrimidin-2-amine?
The InChIKey is HKGDEFPKUKFEFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN3O/c1-10-7-16-14(17-8-10)18-9-11(2)19-13-5-3-12(15)4-6-13/h3-8,11H,9H2,1-2H3,(H,16,17,18).
What are the key properties of N-[2-(4-chlorophenoxy)propyl]-5-methylpyrimidin-2-amine?
N-[2-(4-chlorophenoxy)propyl]-5-methylpyrimidin-2-amine has a molecular weight of 277.76 g/mol, XLogP of 3.32, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorophenoxy)propyl]-5-methylpyrimidin-2-amine is sourced from PubChem (CID 133403569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).