4-morpholin-4-yl-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]pyrimidin-2-amine

C20H27N5O2 — CID 166228948

IUPAC4-morpholin-4-yl-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]pyrimidin-2-amine
SMILESc1cc(N2CCOCC2)nc(NCc2ccc(CN3CCOCC3)cc2)n1
InChIInChI=1S/C20H27N5O2/c1-3-18(16-24-7-11-26-12-8-24)4-2-17(1)15-22-20-21-6-5-19(23-20)25-9-13-27-14-10-25/h1-6H,7-16H2,(H,21,22,23)
InChIKeyGDMFCPYUJRXMRH-UHFFFAOYSA-N
MW369.47 g/mol
LogP1.76
Rot. Bonds6

About 4-morpholin-4-yl-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]pyrimidin-2-amine

4-morpholin-4-yl-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]pyrimidin-2-amine (PubChem CID 166228948) has the molecular formula C20H27N5O2 and a molecular weight of 369.47 g/mol. Its IUPAC name is 4-morpholin-4-yl-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]pyrimidin-2-amine.

Molecular Properties

Compound Name4-morpholin-4-yl-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]pyrimidin-2-amine
PubChem CID166228948
Molecular FormulaC20H27N5O2
Molecular Weight369.47 g/mol
Exact Mass369.22
IUPAC Name4-morpholin-4-yl-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]pyrimidin-2-amine
SMILESc1cc(N2CCOCC2)nc(NCc2ccc(CN3CCOCC3)cc2)n1
InChIInChI=1S/C20H27N5O2/c1-3-18(16-24-7-11-26-12-8-24)4-2-17(1)15-22-20-21-6-5-19(23-20)25-9-13-27-14-10-25/h1-6H,7-16H2,(H,21,22,23)
InChIKeyGDMFCPYUJRXMRH-UHFFFAOYSA-N
XLogP1.76
TPSA62.75 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.47
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4-(4-benzylpiperazin-1-yl)-N-[(4-fluorophenyl)methyl]pyrimidin-2-amine
CID 112891536
4-morpholin-4-yl-N-(pyridin-3-ylmethyl)pyrimidin-2-amine
CID 112886382
4-morpholin-4-yl-N-(2-phenylethyl)pyrimidin-2-amine
CID 112886384
N-[2-(4-methoxyphenyl)ethyl]-4-morpholin-4-ylpyrimidin-2-amine
CID 112886390
4-[4-(4-benzylpiperazin-1-yl)pyrimidin-2-yl]morpholine
CID 112886571
4-[2-[(4-chlorophenyl)methylamino]pyrimidin-4-yl]piperazine-1-carbaldehyde
CID 112888512
4-(4-benzylpiperazin-1-yl)-N-propylpyrimidin-2-amine
CID 112881929
4-[4-[4-(pyridin-4-ylmethyl)piperazin-1-yl]pyrimidin-2-yl]morpholine
CID 75450338
4-(morpholin-4-ylmethyl)-N-(pyridin-4-ylmethyl)aniline
CID 961221
4-(azepan-1-yl)-N-(pyridin-4-ylmethyl)pyrimidin-2-amine
CID 112893866
4-[2-(benzylamino)pyrimidin-4-yl]piperazine-1-carbaldehyde
CID 112888503
4-(azepan-1-yl)-N-[(4-methoxyphenyl)methyl]pyrimidin-2-amine
CID 112892567

Frequently Asked Questions

What is the IUPAC name of 4-morpholin-4-yl-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]pyrimidin-2-amine?
The IUPAC name of 4-morpholin-4-yl-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]pyrimidin-2-amine (CID 166228948) is 4-morpholin-4-yl-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]pyrimidin-2-amine.
What is the SMILES notation for 4-morpholin-4-yl-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]pyrimidin-2-amine?
The canonical SMILES for 4-morpholin-4-yl-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]pyrimidin-2-amine is c1cc(N2CCOCC2)nc(NCc2ccc(CN3CCOCC3)cc2)n1.
What is the InChIKey of 4-morpholin-4-yl-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]pyrimidin-2-amine?
The InChIKey is GDMFCPYUJRXMRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N5O2/c1-3-18(16-24-7-11-26-12-8-24)4-2-17(1)15-22-20-21-6-5-19(23-20)25-9-13-27-14-10-25/h1-6H,7-16H2,(H,21,22,23).
What are the key properties of 4-morpholin-4-yl-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]pyrimidin-2-amine?
4-morpholin-4-yl-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]pyrimidin-2-amine has a molecular weight of 369.47 g/mol, XLogP of 1.76, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-morpholin-4-yl-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]pyrimidin-2-amine is sourced from PubChem (CID 166228948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).