5-methyl-2-N,4-N-bis[2-(3-methylmorpholin-4-yl)propyl]pyrimidine-2,4-diamine

C21H38N6O2 — CID 133349242

IUPAC5-methyl-2-N,4-N-bis[2-(3-methylmorpholin-4-yl)propyl]pyrimidine-2,4-diamine
SMILESCc1cnc(NCC(C)N2CCOCC2C)nc1NCC(C)N1CCOCC1C
InChIInChI=1S/C21H38N6O2/c1-15-10-23-21(24-12-17(3)27-7-9-29-14-19(27)5)25-20(15)22-11-16(2)26-6-8-28-13-18(26)4/h10,16-19H,6-9,11-14H2,1-5H3,(H2,22,23,24,25)
InChIKeyIUJBPZYTXGLPTP-UHFFFAOYSA-N
MW406.58 g/mol
LogP1.83
Rot. Bonds8

About 5-methyl-2-N,4-N-bis[2-(3-methylmorpholin-4-yl)propyl]pyrimidine-2,4-diamine

5-methyl-2-N,4-N-bis[2-(3-methylmorpholin-4-yl)propyl]pyrimidine-2,4-diamine (PubChem CID 133349242) has the molecular formula C21H38N6O2 and a molecular weight of 406.58 g/mol. Its IUPAC name is 5-methyl-2-N,4-N-bis[2-(3-methylmorpholin-4-yl)propyl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-methyl-2-N,4-N-bis[2-(3-methylmorpholin-4-yl)propyl]pyrimidine-2,4-diamine
PubChem CID133349242
Molecular FormulaC21H38N6O2
Molecular Weight406.58 g/mol
Exact Mass406.31
IUPAC Name5-methyl-2-N,4-N-bis[2-(3-methylmorpholin-4-yl)propyl]pyrimidine-2,4-diamine
SMILESCc1cnc(NCC(C)N2CCOCC2C)nc1NCC(C)N1CCOCC1C
InChIInChI=1S/C21H38N6O2/c1-15-10-23-21(24-12-17(3)27-7-9-29-14-19(27)5)25-20(15)22-11-16(2)26-6-8-28-13-18(26)4/h10,16-19H,6-9,11-14H2,1-5H3,(H2,22,23,24,25)
InChIKeyIUJBPZYTXGLPTP-UHFFFAOYSA-N
XLogP1.83
TPSA74.78 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.58
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-N,4-N-bis[2-(3-methylmorpholin-4-yl)propyl]pyrimidine-2,4-diamine?
The IUPAC name of 5-methyl-2-N,4-N-bis[2-(3-methylmorpholin-4-yl)propyl]pyrimidine-2,4-diamine (CID 133349242) is 5-methyl-2-N,4-N-bis[2-(3-methylmorpholin-4-yl)propyl]pyrimidine-2,4-diamine.
What is the SMILES notation for 5-methyl-2-N,4-N-bis[2-(3-methylmorpholin-4-yl)propyl]pyrimidine-2,4-diamine?
The canonical SMILES for 5-methyl-2-N,4-N-bis[2-(3-methylmorpholin-4-yl)propyl]pyrimidine-2,4-diamine is Cc1cnc(NCC(C)N2CCOCC2C)nc1NCC(C)N1CCOCC1C.
What is the InChIKey of 5-methyl-2-N,4-N-bis[2-(3-methylmorpholin-4-yl)propyl]pyrimidine-2,4-diamine?
The InChIKey is IUJBPZYTXGLPTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H38N6O2/c1-15-10-23-21(24-12-17(3)27-7-9-29-14-19(27)5)25-20(15)22-11-16(2)26-6-8-28-13-18(26)4/h10,16-19H,6-9,11-14H2,1-5H3,(H2,22,23,24,25).
What are the key properties of 5-methyl-2-N,4-N-bis[2-(3-methylmorpholin-4-yl)propyl]pyrimidine-2,4-diamine?
5-methyl-2-N,4-N-bis[2-(3-methylmorpholin-4-yl)propyl]pyrimidine-2,4-diamine has a molecular weight of 406.58 g/mol, XLogP of 1.83, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-N,4-N-bis[2-(3-methylmorpholin-4-yl)propyl]pyrimidine-2,4-diamine is sourced from PubChem (CID 133349242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).