2-N-[3-[[[(3R)-1-ethylpyrrolidin-3-yl]amino]methyl]-4-methoxyphenyl]-4-N,6-dimethylpyrimidine-2,4-diamine

C20H30N6O — CID 146554427

IUPAC2-N-[3-[[[(3R)-1-ethylpyrrolidin-3-yl]amino]methyl]-4-methoxyphenyl]-4-N,6-dimethylpyrimidine-2,4-diamine
SMILESCCN1CC[C@@H](NCc2cc(Nc3nc(C)cc(NC)n3)ccc2OC)C1
InChIInChI=1S/C20H30N6O/c1-5-26-9-8-17(13-26)22-12-15-11-16(6-7-18(15)27-4)24-20-23-14(2)10-19(21-3)25-20/h6-7,10-11,17,22H,5,8-9,12-13H2,1-4H3,(H2,21,23,24,25)/t17-/m1/s1
InChIKeyAWHDOOOJTIJZEZ-QGZVFWFLSA-N
MW370.50 g/mol
LogP2.76
Rot. Bonds8

About 2-N-[3-[[[(3R)-1-ethylpyrrolidin-3-yl]amino]methyl]-4-methoxyphenyl]-4-N,6-dimethylpyrimidine-2,4-diamine

2-N-[3-[[[(3R)-1-ethylpyrrolidin-3-yl]amino]methyl]-4-methoxyphenyl]-4-N,6-dimethylpyrimidine-2,4-diamine (PubChem CID 146554427) has the molecular formula C20H30N6O and a molecular weight of 370.50 g/mol. Its IUPAC name is 2-N-[3-[[[(3R)-1-ethylpyrrolidin-3-yl]amino]methyl]-4-methoxyphenyl]-4-N,6-dimethylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-[3-[[[(3R)-1-ethylpyrrolidin-3-yl]amino]methyl]-4-methoxyphenyl]-4-N,6-dimethylpyrimidine-2,4-diamine
PubChem CID146554427
Molecular FormulaC20H30N6O
Molecular Weight370.50 g/mol
Exact Mass370.25
IUPAC Name2-N-[3-[[[(3R)-1-ethylpyrrolidin-3-yl]amino]methyl]-4-methoxyphenyl]-4-N,6-dimethylpyrimidine-2,4-diamine
SMILESCCN1CC[C@@H](NCc2cc(Nc3nc(C)cc(NC)n3)ccc2OC)C1
InChIInChI=1S/C20H30N6O/c1-5-26-9-8-17(13-26)22-12-15-11-16(6-7-18(15)27-4)24-20-23-14(2)10-19(21-3)25-20/h6-7,10-11,17,22H,5,8-9,12-13H2,1-4H3,(H2,21,23,24,25)/t17-/m1/s1
InChIKeyAWHDOOOJTIJZEZ-QGZVFWFLSA-N
XLogP2.76
TPSA74.34 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.50
LogP ≤ 52.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 2-N-[3-[[[(3R)-1-ethylpyrrolidin-3-yl]amino]methyl]-4-methoxyphenyl]-4-N,6-dimethylpyrimidine-2,4-diamine with MolForge

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Related Compounds

2-N-[3-[1-(1-ethylazetidin-3-yl)ethoxy]-4-methoxyphenyl]-4-N,6-dimethylpyrimidine-2,4-diamine
CID 158630439
2-N-[4-methoxy-3-[[[(3R)-pyrrolidin-3-yl]amino]methyl]phenyl]-4-N,6-dimethylpyridine-2,4-diamine
CID 156546026
6-ethyl-2-N-[3-[(E)-2-(1-ethylpyrrolidin-3-yl)ethenoxy]-4-methoxyphenyl]-4-N-methylpyrimidine-2,4-diamine
CID 174070625
N-[(5-chloro-2-methoxyphenyl)methyl]-1-ethylpiperidin-3-amine
CID 61169801
2-N-[4-methoxy-3-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-4-N,6-dimethylpyrimidine-2,4-diamine
CID 146397993
2-N-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]-4-N,6-dimethylpyrimidine-2,4-diamine
CID 162651371
2-N-[4-methoxy-3-[3-(methylamino)cyclobutyl]oxyphenyl]-4-N,6-dimethylpyrimidine-2,4-diamine
CID 145385464
2-N-(3-hydrazinyl-4-methoxyphenyl)-4-N,6-dimethylpyrimidine-2,4-diamine
CID 135154230
2-N-[4-methoxy-3-[5-(methylamino)pentan-2-yl]phenyl]-4-N,6-dimethylpyrimidine-2,4-diamine
CID 147318505
1-[2-methoxy-5-[[4-methyl-6-(methylamino)pyrimidin-2-yl]amino]phenoxy]-1-pyrrolidin-1-ylpropan-2-ol
CID 138562035
(1R)-1-(azetidin-1-yl)-1-[2-methoxy-5-[[4-methyl-6-(methylamino)pyrimidin-2-yl]amino]phenoxy]propan-2-ol
CID 154616323
2-N-(3,4-dimethoxyphenyl)-4-N-[(2-methoxyphenyl)methyl]-6-methylpyrimidine-2,4-diamine
CID 112918255

Frequently Asked Questions

What is the IUPAC name of 2-N-[3-[[[(3R)-1-ethylpyrrolidin-3-yl]amino]methyl]-4-methoxyphenyl]-4-N,6-dimethylpyrimidine-2,4-diamine?
The IUPAC name of 2-N-[3-[[[(3R)-1-ethylpyrrolidin-3-yl]amino]methyl]-4-methoxyphenyl]-4-N,6-dimethylpyrimidine-2,4-diamine (CID 146554427) is 2-N-[3-[[[(3R)-1-ethylpyrrolidin-3-yl]amino]methyl]-4-methoxyphenyl]-4-N,6-dimethylpyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-[3-[[[(3R)-1-ethylpyrrolidin-3-yl]amino]methyl]-4-methoxyphenyl]-4-N,6-dimethylpyrimidine-2,4-diamine?
The canonical SMILES for 2-N-[3-[[[(3R)-1-ethylpyrrolidin-3-yl]amino]methyl]-4-methoxyphenyl]-4-N,6-dimethylpyrimidine-2,4-diamine is CCN1CC[C@@H](NCc2cc(Nc3nc(C)cc(NC)n3)ccc2OC)C1.
What is the InChIKey of 2-N-[3-[[[(3R)-1-ethylpyrrolidin-3-yl]amino]methyl]-4-methoxyphenyl]-4-N,6-dimethylpyrimidine-2,4-diamine?
The InChIKey is AWHDOOOJTIJZEZ-QGZVFWFLSA-N. The full InChI is InChI=1S/C20H30N6O/c1-5-26-9-8-17(13-26)22-12-15-11-16(6-7-18(15)27-4)24-20-23-14(2)10-19(21-3)25-20/h6-7,10-11,17,22H,5,8-9,12-13H2,1-4H3,(H2,21,23,24,25)/t17-/m1/s1.
What are the key properties of 2-N-[3-[[[(3R)-1-ethylpyrrolidin-3-yl]amino]methyl]-4-methoxyphenyl]-4-N,6-dimethylpyrimidine-2,4-diamine?
2-N-[3-[[[(3R)-1-ethylpyrrolidin-3-yl]amino]methyl]-4-methoxyphenyl]-4-N,6-dimethylpyrimidine-2,4-diamine has a molecular weight of 370.50 g/mol, XLogP of 2.76, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[3-[[[(3R)-1-ethylpyrrolidin-3-yl]amino]methyl]-4-methoxyphenyl]-4-N,6-dimethylpyrimidine-2,4-diamine is sourced from PubChem (CID 146554427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).