N-[4-(3-chloropropoxy)phenyl]-4-morpholin-4-ylpyrimidin-2-amine

C17H21ClN4O2 — CID 142745789

IUPACN-[4-(3-chloropropoxy)phenyl]-4-morpholin-4-ylpyrimidin-2-amine
SMILESClCCCOc1ccc(Nc2nccc(N3CCOCC3)n2)cc1
InChIInChI=1S/C17H21ClN4O2/c18-7-1-11-24-15-4-2-14(3-5-15)20-17-19-8-6-16(21-17)22-9-12-23-13-10-22/h2-6,8H,1,7,9-13H2,(H,19,20,21)
InChIKeyMTVYGRHTHAHNAU-UHFFFAOYSA-N
MW348.83 g/mol
LogP3.06
Rot. Bonds7

About N-[4-(3-chloropropoxy)phenyl]-4-morpholin-4-ylpyrimidin-2-amine

N-[4-(3-chloropropoxy)phenyl]-4-morpholin-4-ylpyrimidin-2-amine (PubChem CID 142745789) has the molecular formula C17H21ClN4O2 and a molecular weight of 348.83 g/mol. Its IUPAC name is N-[4-(3-chloropropoxy)phenyl]-4-morpholin-4-ylpyrimidin-2-amine.

Molecular Properties

Compound NameN-[4-(3-chloropropoxy)phenyl]-4-morpholin-4-ylpyrimidin-2-amine
PubChem CID142745789
Molecular FormulaC17H21ClN4O2
Molecular Weight348.83 g/mol
Exact Mass348.14
IUPAC NameN-[4-(3-chloropropoxy)phenyl]-4-morpholin-4-ylpyrimidin-2-amine
SMILESClCCCOc1ccc(Nc2nccc(N3CCOCC3)n2)cc1
InChIInChI=1S/C17H21ClN4O2/c18-7-1-11-24-15-4-2-14(3-5-15)20-17-19-8-6-16(21-17)22-9-12-23-13-10-22/h2-6,8H,1,7,9-13H2,(H,19,20,21)
InChIKeyMTVYGRHTHAHNAU-UHFFFAOYSA-N
XLogP3.06
TPSA59.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.83
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

N-(3,4-dichlorophenyl)-4-morpholin-4-ylpyrimidin-2-amine
CID 112886522
4-N,4-N-diethyl-1-N-(4-morpholin-4-ylpyrimidin-2-yl)benzene-1,4-diamine
CID 112886496
methyl 4-[(4-morpholin-4-ylpyrimidin-2-yl)amino]benzoate
CID 112886492
4-[(4-morpholin-4-ylpyrimidin-2-yl)amino]benzenesulfonamide
CID 58891146
N-[4-[3-(diethylamino)propoxy]phenyl]-4-piperidin-1-ylpyrimidin-2-amine
CID 142745751
N-(4-phenylmethoxyphenyl)-4-piperidin-1-ylpyrimidin-2-amine
CID 112884582
4-(4-morpholin-4-ylpiperidin-1-yl)-N-phenylpyrimidin-2-amine
CID 58432936
1-[4-[2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]piperazin-1-yl]-2-(4-propan-2-yloxyphenyl)ethanone
CID 167539559
4-(2-morpholin-4-yl-4-pyridinyl)-N-phenylpyrimidin-2-amine
CID 71458570
N-[2-(4-methoxyphenyl)ethyl]-4-morpholin-4-ylpyrimidin-2-amine
CID 112886390
N-(2,5-dichlorophenyl)-4-morpholin-4-ylpyrimidin-2-amine
CID 112886524
4-methyl-N-(4-morpholin-4-ylphenyl)pyrimidin-2-amine
CID 123331778

Frequently Asked Questions

What is the IUPAC name of N-[4-(3-chloropropoxy)phenyl]-4-morpholin-4-ylpyrimidin-2-amine?
The IUPAC name of N-[4-(3-chloropropoxy)phenyl]-4-morpholin-4-ylpyrimidin-2-amine (CID 142745789) is N-[4-(3-chloropropoxy)phenyl]-4-morpholin-4-ylpyrimidin-2-amine.
What is the SMILES notation for N-[4-(3-chloropropoxy)phenyl]-4-morpholin-4-ylpyrimidin-2-amine?
The canonical SMILES for N-[4-(3-chloropropoxy)phenyl]-4-morpholin-4-ylpyrimidin-2-amine is ClCCCOc1ccc(Nc2nccc(N3CCOCC3)n2)cc1.
What is the InChIKey of N-[4-(3-chloropropoxy)phenyl]-4-morpholin-4-ylpyrimidin-2-amine?
The InChIKey is MTVYGRHTHAHNAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21ClN4O2/c18-7-1-11-24-15-4-2-14(3-5-15)20-17-19-8-6-16(21-17)22-9-12-23-13-10-22/h2-6,8H,1,7,9-13H2,(H,19,20,21).
What are the key properties of N-[4-(3-chloropropoxy)phenyl]-4-morpholin-4-ylpyrimidin-2-amine?
N-[4-(3-chloropropoxy)phenyl]-4-morpholin-4-ylpyrimidin-2-amine has a molecular weight of 348.83 g/mol, XLogP of 3.06, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-chloropropoxy)phenyl]-4-morpholin-4-ylpyrimidin-2-amine is sourced from PubChem (CID 142745789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).