N-tert-butyl-2-[4-(2-methoxyphenyl)piperazin-1-yl]pyrimidin-4-amine

C19H27N5O — CID 112898253

IUPACN-tert-butyl-2-[4-(2-methoxyphenyl)piperazin-1-yl]pyrimidin-4-amine
SMILESCOc1ccccc1N1CCN(c2nccc(NC(C)(C)C)n2)CC1
InChIInChI=1S/C19H27N5O/c1-19(2,3)22-17-9-10-20-18(21-17)24-13-11-23(12-14-24)15-7-5-6-8-16(15)25-4/h5-10H,11-14H2,1-4H3,(H,20,21,22)
InChIKeyVOBBJWAZHOUGLK-UHFFFAOYSA-N
MW341.46 g/mol
LogP3.02
Rot. Bonds4

About N-tert-butyl-2-[4-(2-methoxyphenyl)piperazin-1-yl]pyrimidin-4-amine

N-tert-butyl-2-[4-(2-methoxyphenyl)piperazin-1-yl]pyrimidin-4-amine (PubChem CID 112898253) has the molecular formula C19H27N5O and a molecular weight of 341.46 g/mol. Its IUPAC name is N-tert-butyl-2-[4-(2-methoxyphenyl)piperazin-1-yl]pyrimidin-4-amine.

Molecular Properties

Compound NameN-tert-butyl-2-[4-(2-methoxyphenyl)piperazin-1-yl]pyrimidin-4-amine
PubChem CID112898253
Molecular FormulaC19H27N5O
Molecular Weight341.46 g/mol
Exact Mass341.22
IUPAC NameN-tert-butyl-2-[4-(2-methoxyphenyl)piperazin-1-yl]pyrimidin-4-amine
SMILESCOc1ccccc1N1CCN(c2nccc(NC(C)(C)C)n2)CC1
InChIInChI=1S/C19H27N5O/c1-19(2,3)22-17-9-10-20-18(21-17)24-13-11-23(12-14-24)15-7-5-6-8-16(15)25-4/h5-10H,11-14H2,1-4H3,(H,20,21,22)
InChIKeyVOBBJWAZHOUGLK-UHFFFAOYSA-N
XLogP3.02
TPSA53.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.46
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(1-phenylethyl)pyrimidin-4-amine
CID 112890544
2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(2-phenylethyl)pyrimidin-4-amine
CID 112893947
2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-pentylpyrimidin-4-amine
CID 112898256
N-cyclohexyl-2-[4-(2-methoxyphenyl)piperazin-1-yl]pyrimidin-4-amine
CID 112884797
2-[4-(2-methoxyphenyl)piperazin-1-yl]pyrimidine-4-carbonitrile
CID 163343712
N-tert-butyl-2-[4-(3-methylphenyl)piperazin-1-yl]pyrimidin-4-amine
CID 112898153
2-(azepan-1-yl)-N-[2-(2-methoxyphenyl)ethyl]pyrimidin-4-amine
CID 112894924
[4-(2-methoxyphenyl)piperazin-1-yl]-(2-pyrrolidin-1-ylpyrimidin-4-yl)methanone
CID 109297521
N-tert-butyl-2-[4-(2-methoxyphenyl)piperazin-1-yl]pyrimidine-5-carboxamide
CID 109262038
[2-(azepan-1-yl)pyrimidin-4-yl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 109310400
4-[4-(2-methoxyphenyl)piperazin-1-yl]-2-methylpyrimidine
CID 155823172
2-[4-(2-fluorophenyl)piperazin-1-yl]-N-(2-methoxy-5-methylphenyl)pyrimidin-4-amine
CID 112898537

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-[4-(2-methoxyphenyl)piperazin-1-yl]pyrimidin-4-amine?
The IUPAC name of N-tert-butyl-2-[4-(2-methoxyphenyl)piperazin-1-yl]pyrimidin-4-amine (CID 112898253) is N-tert-butyl-2-[4-(2-methoxyphenyl)piperazin-1-yl]pyrimidin-4-amine.
What is the SMILES notation for N-tert-butyl-2-[4-(2-methoxyphenyl)piperazin-1-yl]pyrimidin-4-amine?
The canonical SMILES for N-tert-butyl-2-[4-(2-methoxyphenyl)piperazin-1-yl]pyrimidin-4-amine is COc1ccccc1N1CCN(c2nccc(NC(C)(C)C)n2)CC1.
What is the InChIKey of N-tert-butyl-2-[4-(2-methoxyphenyl)piperazin-1-yl]pyrimidin-4-amine?
The InChIKey is VOBBJWAZHOUGLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N5O/c1-19(2,3)22-17-9-10-20-18(21-17)24-13-11-23(12-14-24)15-7-5-6-8-16(15)25-4/h5-10H,11-14H2,1-4H3,(H,20,21,22).
What are the key properties of N-tert-butyl-2-[4-(2-methoxyphenyl)piperazin-1-yl]pyrimidin-4-amine?
N-tert-butyl-2-[4-(2-methoxyphenyl)piperazin-1-yl]pyrimidin-4-amine has a molecular weight of 341.46 g/mol, XLogP of 3.02, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-[4-(2-methoxyphenyl)piperazin-1-yl]pyrimidin-4-amine is sourced from PubChem (CID 112898253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).