4-N-methyl-4-N-(2-morpholin-4-ylpropyl)-6-propan-2-yloxypyrimidine-2,4-diamine

C15H27N5O2 — CID 50979032

IUPAC4-N-methyl-4-N-(2-morpholin-4-ylpropyl)-6-propan-2-yloxypyrimidine-2,4-diamine
SMILESCC(C)Oc1cc(N(C)CC(C)N2CCOCC2)nc(N)n1
InChIInChI=1S/C15H27N5O2/c1-11(2)22-14-9-13(17-15(16)18-14)19(4)10-12(3)20-5-7-21-8-6-20/h9,11-12H,5-8,10H2,1-4H3,(H2,16,17,18)
InChIKeyNJPCBPGHGAKTQP-UHFFFAOYSA-N
MW309.41 g/mol
LogP1.00
Rot. Bonds6

About 4-N-methyl-4-N-(2-morpholin-4-ylpropyl)-6-propan-2-yloxypyrimidine-2,4-diamine

4-N-methyl-4-N-(2-morpholin-4-ylpropyl)-6-propan-2-yloxypyrimidine-2,4-diamine (PubChem CID 50979032) has the molecular formula C15H27N5O2 and a molecular weight of 309.41 g/mol. Its IUPAC name is 4-N-methyl-4-N-(2-morpholin-4-ylpropyl)-6-propan-2-yloxypyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-methyl-4-N-(2-morpholin-4-ylpropyl)-6-propan-2-yloxypyrimidine-2,4-diamine
PubChem CID50979032
Molecular FormulaC15H27N5O2
Molecular Weight309.41 g/mol
Exact Mass309.22
IUPAC Name4-N-methyl-4-N-(2-morpholin-4-ylpropyl)-6-propan-2-yloxypyrimidine-2,4-diamine
SMILESCC(C)Oc1cc(N(C)CC(C)N2CCOCC2)nc(N)n1
InChIInChI=1S/C15H27N5O2/c1-11(2)22-14-9-13(17-15(16)18-14)19(4)10-12(3)20-5-7-21-8-6-20/h9,11-12H,5-8,10H2,1-4H3,(H2,16,17,18)
InChIKeyNJPCBPGHGAKTQP-UHFFFAOYSA-N
XLogP1.00
TPSA76.74 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.41
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-N-methyl-4-N-(2-morpholin-4-ylpropyl)-6-propan-2-yloxypyrimidine-2,4-diamine?
The IUPAC name of 4-N-methyl-4-N-(2-morpholin-4-ylpropyl)-6-propan-2-yloxypyrimidine-2,4-diamine (CID 50979032) is 4-N-methyl-4-N-(2-morpholin-4-ylpropyl)-6-propan-2-yloxypyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-methyl-4-N-(2-morpholin-4-ylpropyl)-6-propan-2-yloxypyrimidine-2,4-diamine?
The canonical SMILES for 4-N-methyl-4-N-(2-morpholin-4-ylpropyl)-6-propan-2-yloxypyrimidine-2,4-diamine is CC(C)Oc1cc(N(C)CC(C)N2CCOCC2)nc(N)n1.
What is the InChIKey of 4-N-methyl-4-N-(2-morpholin-4-ylpropyl)-6-propan-2-yloxypyrimidine-2,4-diamine?
The InChIKey is NJPCBPGHGAKTQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N5O2/c1-11(2)22-14-9-13(17-15(16)18-14)19(4)10-12(3)20-5-7-21-8-6-20/h9,11-12H,5-8,10H2,1-4H3,(H2,16,17,18).
What are the key properties of 4-N-methyl-4-N-(2-morpholin-4-ylpropyl)-6-propan-2-yloxypyrimidine-2,4-diamine?
4-N-methyl-4-N-(2-morpholin-4-ylpropyl)-6-propan-2-yloxypyrimidine-2,4-diamine has a molecular weight of 309.41 g/mol, XLogP of 1.00, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-methyl-4-N-(2-morpholin-4-ylpropyl)-6-propan-2-yloxypyrimidine-2,4-diamine is sourced from PubChem (CID 50979032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).