2-N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-4-N,4-N-dimethylpyrimidine-2,4-diamine

C19H27N5O — CID 133382457

IUPAC2-N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-4-N,4-N-dimethylpyrimidine-2,4-diamine
SMILESCOc1ccccc1C(CNc1nccc(N(C)C)n1)N1CCCC1
InChIInChI=1S/C19H27N5O/c1-23(2)18-10-11-20-19(22-18)21-14-16(24-12-6-7-13-24)15-8-4-5-9-17(15)25-3/h4-5,8-11,16H,6-7,12-14H2,1-3H3,(H,20,21,22)
InChIKeyMUJASMONGHQFNT-UHFFFAOYSA-N
MW341.46 g/mol
LogP2.80
Rot. Bonds7

About 2-N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-4-N,4-N-dimethylpyrimidine-2,4-diamine

2-N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-4-N,4-N-dimethylpyrimidine-2,4-diamine (PubChem CID 133382457) has the molecular formula C19H27N5O and a molecular weight of 341.46 g/mol. Its IUPAC name is 2-N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-4-N,4-N-dimethylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-4-N,4-N-dimethylpyrimidine-2,4-diamine
PubChem CID133382457
Molecular FormulaC19H27N5O
Molecular Weight341.46 g/mol
Exact Mass341.22
IUPAC Name2-N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-4-N,4-N-dimethylpyrimidine-2,4-diamine
SMILESCOc1ccccc1C(CNc1nccc(N(C)C)n1)N1CCCC1
InChIInChI=1S/C19H27N5O/c1-23(2)18-10-11-20-19(22-18)21-14-16(24-12-6-7-13-24)15-8-4-5-9-17(15)25-3/h4-5,8-11,16H,6-7,12-14H2,1-3H3,(H,20,21,22)
InChIKeyMUJASMONGHQFNT-UHFFFAOYSA-N
XLogP2.80
TPSA53.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.46
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-4-N,4-N-dimethylpyrimidine-2,4-diamine with MolForge

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Related Compounds

N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-6-methylpyridin-2-amine
CID 133481541
2,3,5,6-tetrafluoro-N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]pyridin-4-amine
CID 133370616
N-[2-(2-methoxyphenyl)-2-piperidin-1-ylethyl]-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide
CID 120969828
4-N,4-N-dimethyl-2-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)pyrimidine-2,4-diamine
CID 133382668
N-[2-(2-methoxyphenyl)-2-piperidin-1-ylethyl]-3-methyl-1,2,4-thiadiazol-5-amine
CID 133319501
2-[[2-(2-methoxyphenyl)-2-piperidin-1-ylethyl]amino]-N-methylpyridine-3-carboxamide
CID 133319504
2-(difluoromethyl)-N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]quinazolin-4-amine
CID 56553723
N-[(2R)-2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine
CID 8023168
N-[(2S)-2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine
CID 8023171
N-[(2R)-2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]tetrazolo[1,5-b]pyridazin-6-amine
CID 92813665
3-amino-N-[2-(2-methoxyphenyl)-2-piperidin-1-ylethyl]pyrazine-2-carboxamide
CID 55950744
3-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-1-methyl-1-(1-thiophen-2-ylethyl)urea
CID 86916292

Frequently Asked Questions

What is the IUPAC name of 2-N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-4-N,4-N-dimethylpyrimidine-2,4-diamine?
The IUPAC name of 2-N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-4-N,4-N-dimethylpyrimidine-2,4-diamine (CID 133382457) is 2-N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-4-N,4-N-dimethylpyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-4-N,4-N-dimethylpyrimidine-2,4-diamine?
The canonical SMILES for 2-N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-4-N,4-N-dimethylpyrimidine-2,4-diamine is COc1ccccc1C(CNc1nccc(N(C)C)n1)N1CCCC1.
What is the InChIKey of 2-N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-4-N,4-N-dimethylpyrimidine-2,4-diamine?
The InChIKey is MUJASMONGHQFNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N5O/c1-23(2)18-10-11-20-19(22-18)21-14-16(24-12-6-7-13-24)15-8-4-5-9-17(15)25-3/h4-5,8-11,16H,6-7,12-14H2,1-3H3,(H,20,21,22).
What are the key properties of 2-N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-4-N,4-N-dimethylpyrimidine-2,4-diamine?
2-N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-4-N,4-N-dimethylpyrimidine-2,4-diamine has a molecular weight of 341.46 g/mol, XLogP of 2.80, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-4-N,4-N-dimethylpyrimidine-2,4-diamine is sourced from PubChem (CID 133382457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).