5-methyl-2-N-[3-(2-morpholin-4-ylethyl)phenyl]-4-N-propan-2-ylpyrimidine-2,4-diamine;hydrochloride

C20H30ClN5O — CID 44525827

IUPAC5-methyl-2-N-[3-(2-morpholin-4-ylethyl)phenyl]-4-N-propan-2-ylpyrimidine-2,4-diamine;hydrochloride
SMILESCc1cnc(Nc2cccc(CCN3CCOCC3)c2)nc1NC(C)C.Cl
InChIInChI=1S/C20H29N5O.ClH/c1-15(2)22-19-16(3)14-21-20(24-19)23-18-6-4-5-17(13-18)7-8-25-9-11-26-12-10-25;/h4-6,13-15H,7-12H2,1-3H3,(H2,21,22,23,24);1H
InChIKeyOUHOMRJCDNAYLD-UHFFFAOYSA-N
MW391.95 g/mol
LogP3.65
Rot. Bonds7

About 5-methyl-2-N-[3-(2-morpholin-4-ylethyl)phenyl]-4-N-propan-2-ylpyrimidine-2,4-diamine;hydrochloride

5-methyl-2-N-[3-(2-morpholin-4-ylethyl)phenyl]-4-N-propan-2-ylpyrimidine-2,4-diamine;hydrochloride (PubChem CID 44525827) has the molecular formula C20H30ClN5O and a molecular weight of 391.95 g/mol. Its IUPAC name is 5-methyl-2-N-[3-(2-morpholin-4-ylethyl)phenyl]-4-N-propan-2-ylpyrimidine-2,4-diamine;hydrochloride.

Molecular Properties

Compound Name5-methyl-2-N-[3-(2-morpholin-4-ylethyl)phenyl]-4-N-propan-2-ylpyrimidine-2,4-diamine;hydrochloride
PubChem CID44525827
Molecular FormulaC20H30ClN5O
Molecular Weight391.95 g/mol
Exact Mass391.21
IUPAC Name5-methyl-2-N-[3-(2-morpholin-4-ylethyl)phenyl]-4-N-propan-2-ylpyrimidine-2,4-diamine;hydrochloride
SMILESCc1cnc(Nc2cccc(CCN3CCOCC3)c2)nc1NC(C)C.Cl
InChIInChI=1S/C20H29N5O.ClH/c1-15(2)22-19-16(3)14-21-20(24-19)23-18-6-4-5-17(13-18)7-8-25-9-11-26-12-10-25;/h4-6,13-15H,7-12H2,1-3H3,(H2,21,22,23,24);1H
InChIKeyOUHOMRJCDNAYLD-UHFFFAOYSA-N
XLogP3.65
TPSA62.31 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.95
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-N-[3-(2-morpholin-4-ylethyl)phenyl]-4-N-propan-2-ylpyrimidine-2,4-diamine;hydrochloride?
The IUPAC name of 5-methyl-2-N-[3-(2-morpholin-4-ylethyl)phenyl]-4-N-propan-2-ylpyrimidine-2,4-diamine;hydrochloride (CID 44525827) is 5-methyl-2-N-[3-(2-morpholin-4-ylethyl)phenyl]-4-N-propan-2-ylpyrimidine-2,4-diamine;hydrochloride.
What is the SMILES notation for 5-methyl-2-N-[3-(2-morpholin-4-ylethyl)phenyl]-4-N-propan-2-ylpyrimidine-2,4-diamine;hydrochloride?
The canonical SMILES for 5-methyl-2-N-[3-(2-morpholin-4-ylethyl)phenyl]-4-N-propan-2-ylpyrimidine-2,4-diamine;hydrochloride is Cc1cnc(Nc2cccc(CCN3CCOCC3)c2)nc1NC(C)C.Cl.
What is the InChIKey of 5-methyl-2-N-[3-(2-morpholin-4-ylethyl)phenyl]-4-N-propan-2-ylpyrimidine-2,4-diamine;hydrochloride?
The InChIKey is OUHOMRJCDNAYLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N5O.ClH/c1-15(2)22-19-16(3)14-21-20(24-19)23-18-6-4-5-17(13-18)7-8-25-9-11-26-12-10-25;/h4-6,13-15H,7-12H2,1-3H3,(H2,21,22,23,24);1H.
What are the key properties of 5-methyl-2-N-[3-(2-morpholin-4-ylethyl)phenyl]-4-N-propan-2-ylpyrimidine-2,4-diamine;hydrochloride?
5-methyl-2-N-[3-(2-morpholin-4-ylethyl)phenyl]-4-N-propan-2-ylpyrimidine-2,4-diamine;hydrochloride has a molecular weight of 391.95 g/mol, XLogP of 3.65, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-N-[3-(2-morpholin-4-ylethyl)phenyl]-4-N-propan-2-ylpyrimidine-2,4-diamine;hydrochloride is sourced from PubChem (CID 44525827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).