2-N-[4-methoxy-3-[[[(3R)-pyrrolidin-3-yl]amino]methyl]phenyl]-4-N,6-dimethylpyridine-2,4-diamine

C19H27N5O — CID 156546026

IUPAC2-N-[4-methoxy-3-[[[(3R)-pyrrolidin-3-yl]amino]methyl]phenyl]-4-N,6-dimethylpyridine-2,4-diamine
SMILESCNc1cc(C)nc(Nc2ccc(OC)c(CN[C@@H]3CCNC3)c2)c1
InChIInChI=1S/C19H27N5O/c1-13-8-17(20-2)10-19(23-13)24-15-4-5-18(25-3)14(9-15)11-22-16-6-7-21-12-16/h4-5,8-10,16,21-22H,6-7,11-12H2,1-3H3,(H2,20,23,24)/t16-/m1/s1
InChIKeyPYEQJDWIKRAKAR-MRXNPFEDSA-N
MW341.46 g/mol
LogP2.64
Rot. Bonds7

About 2-N-[4-methoxy-3-[[[(3R)-pyrrolidin-3-yl]amino]methyl]phenyl]-4-N,6-dimethylpyridine-2,4-diamine

2-N-[4-methoxy-3-[[[(3R)-pyrrolidin-3-yl]amino]methyl]phenyl]-4-N,6-dimethylpyridine-2,4-diamine (PubChem CID 156546026) has the molecular formula C19H27N5O and a molecular weight of 341.46 g/mol. Its IUPAC name is 2-N-[4-methoxy-3-[[[(3R)-pyrrolidin-3-yl]amino]methyl]phenyl]-4-N,6-dimethylpyridine-2,4-diamine.

Molecular Properties

Compound Name2-N-[4-methoxy-3-[[[(3R)-pyrrolidin-3-yl]amino]methyl]phenyl]-4-N,6-dimethylpyridine-2,4-diamine
PubChem CID156546026
Molecular FormulaC19H27N5O
Molecular Weight341.46 g/mol
Exact Mass341.22
IUPAC Name2-N-[4-methoxy-3-[[[(3R)-pyrrolidin-3-yl]amino]methyl]phenyl]-4-N,6-dimethylpyridine-2,4-diamine
SMILESCNc1cc(C)nc(Nc2ccc(OC)c(CN[C@@H]3CCNC3)c2)c1
InChIInChI=1S/C19H27N5O/c1-13-8-17(20-2)10-19(23-13)24-15-4-5-18(25-3)14(9-15)11-22-16-6-7-21-12-16/h4-5,8-10,16,21-22H,6-7,11-12H2,1-3H3,(H2,20,23,24)/t16-/m1/s1
InChIKeyPYEQJDWIKRAKAR-MRXNPFEDSA-N
XLogP2.64
TPSA70.24 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.46
LogP ≤ 52.64
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze 2-N-[4-methoxy-3-[[[(3R)-pyrrolidin-3-yl]amino]methyl]phenyl]-4-N,6-dimethylpyridine-2,4-diamine with MolForge

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Related Compounds

2-N-[3-[[[(3R)-1-ethylpyrrolidin-3-yl]amino]methyl]-4-methoxyphenyl]-4-N,6-dimethylpyrimidine-2,4-diamine
CID 146554427
N-[(2,4-dimethoxy-3-methylphenyl)methyl]pyrrolidin-3-amine
CID 115118851
benzene;(3S)-N-[[2-methoxy-5-(trifluoromethoxy)phenyl]methyl]piperidin-3-amine
CID 142835645
N-[2-(2-methoxy-4,5-dimethylphenyl)ethyl]pyrrolidin-3-amine
CID 115118996
N-[(4-methoxy-3,5-dimethylphenyl)methyl]pyrrolidin-3-amine
CID 115118890
(3R)-N-(4-chloro-3-methoxyphenyl)pyrrolidin-3-amine
CID 155923260
2-chloro-6-methyl-N-[(3R)-pyrrolidin-3-yl]pyrimidin-4-amine
CID 71638529
4-N-(3-chloro-4-methoxyphenyl)-2-N-cyclohexyl-6-methylpyrimidine-2,4-diamine
CID 112910612
N-[(2,5-dimethoxyphenyl)methyl]cyclopropanamine;hydrochloride
CID 167726962
N-[(2,5-dimethoxyphenyl)methyl]cyclopentanamine
CID 792687
N-(3,4-dimethoxyphenyl)-2-(4-ethylpiperazin-1-yl)-6-methylpyrimidin-4-amine
CID 112914414
4-N-(3-chloro-4-methoxyphenyl)-6-N-[(2-methoxyphenyl)methyl]-2-methylpyrimidine-4,6-diamine
CID 112872842

Frequently Asked Questions

What is the IUPAC name of 2-N-[4-methoxy-3-[[[(3R)-pyrrolidin-3-yl]amino]methyl]phenyl]-4-N,6-dimethylpyridine-2,4-diamine?
The IUPAC name of 2-N-[4-methoxy-3-[[[(3R)-pyrrolidin-3-yl]amino]methyl]phenyl]-4-N,6-dimethylpyridine-2,4-diamine (CID 156546026) is 2-N-[4-methoxy-3-[[[(3R)-pyrrolidin-3-yl]amino]methyl]phenyl]-4-N,6-dimethylpyridine-2,4-diamine.
What is the SMILES notation for 2-N-[4-methoxy-3-[[[(3R)-pyrrolidin-3-yl]amino]methyl]phenyl]-4-N,6-dimethylpyridine-2,4-diamine?
The canonical SMILES for 2-N-[4-methoxy-3-[[[(3R)-pyrrolidin-3-yl]amino]methyl]phenyl]-4-N,6-dimethylpyridine-2,4-diamine is CNc1cc(C)nc(Nc2ccc(OC)c(CN[C@@H]3CCNC3)c2)c1.
What is the InChIKey of 2-N-[4-methoxy-3-[[[(3R)-pyrrolidin-3-yl]amino]methyl]phenyl]-4-N,6-dimethylpyridine-2,4-diamine?
The InChIKey is PYEQJDWIKRAKAR-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H27N5O/c1-13-8-17(20-2)10-19(23-13)24-15-4-5-18(25-3)14(9-15)11-22-16-6-7-21-12-16/h4-5,8-10,16,21-22H,6-7,11-12H2,1-3H3,(H2,20,23,24)/t16-/m1/s1.
What are the key properties of 2-N-[4-methoxy-3-[[[(3R)-pyrrolidin-3-yl]amino]methyl]phenyl]-4-N,6-dimethylpyridine-2,4-diamine?
2-N-[4-methoxy-3-[[[(3R)-pyrrolidin-3-yl]amino]methyl]phenyl]-4-N,6-dimethylpyridine-2,4-diamine has a molecular weight of 341.46 g/mol, XLogP of 2.64, 7 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[4-methoxy-3-[[[(3R)-pyrrolidin-3-yl]amino]methyl]phenyl]-4-N,6-dimethylpyridine-2,4-diamine is sourced from PubChem (CID 156546026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).