4-N-morpholin-4-yl-6-N-propylpyrimidine-4,6-diamine

C11H19N5O — CID 83027310

IUPAC4-N-morpholin-4-yl-6-N-propylpyrimidine-4,6-diamine
SMILESCCCNc1cc(NN2CCOCC2)ncn1
InChIInChI=1S/C11H19N5O/c1-2-3-12-10-8-11(14-9-13-10)15-16-4-6-17-7-5-16/h8-9H,2-7H2,1H3,(H2,12,13,14,15)
InChIKeyIWCPIMHQVYOVBV-UHFFFAOYSA-N
MW237.31 g/mol
LogP0.96
Rot. Bonds5

About 4-N-morpholin-4-yl-6-N-propylpyrimidine-4,6-diamine

4-N-morpholin-4-yl-6-N-propylpyrimidine-4,6-diamine (PubChem CID 83027310) has the molecular formula C11H19N5O and a molecular weight of 237.31 g/mol. Its IUPAC name is 4-N-morpholin-4-yl-6-N-propylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-morpholin-4-yl-6-N-propylpyrimidine-4,6-diamine
PubChem CID83027310
Molecular FormulaC11H19N5O
Molecular Weight237.31 g/mol
Exact Mass237.16
IUPAC Name4-N-morpholin-4-yl-6-N-propylpyrimidine-4,6-diamine
SMILESCCCNc1cc(NN2CCOCC2)ncn1
InChIInChI=1S/C11H19N5O/c1-2-3-12-10-8-11(14-9-13-10)15-16-4-6-17-7-5-16/h8-9H,2-7H2,1H3,(H2,12,13,14,15)
InChIKeyIWCPIMHQVYOVBV-UHFFFAOYSA-N
XLogP0.96
TPSA62.31 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.31
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(6-propylpyrimidin-4-yl)morpholin-4-amine
CID 83026460
2-tert-butyl-4-N-morpholin-4-yl-6-N-propylpyrimidine-4,6-diamine
CID 83034209
4-N-(4-methyloxan-4-yl)-6-N-propylpyrimidine-4,6-diamine
CID 113491390
6-morpholin-4-yl-N-pentylpyrimidin-4-amine
CID 112857074
6-N-ethyl-4-N-morpholin-4-yl-2-propylpyrimidine-4,6-diamine
CID 83027389
4-N-morpholin-4-yl-2-N-propyl-6-(trifluoromethyl)pyrimidine-2,4-diamine
CID 114565646
4-N-(oxolan-3-ylmethyl)-6-N-propylpyrimidine-4,6-diamine
CID 80825653
4-N-cyclopropyl-6-N-propylpyrimidine-4,6-diamine
CID 80769657
4-N-[(1-methylpiperidin-4-yl)methyl]-6-N-propylpyrimidine-4,6-diamine
CID 80812575
4-N-(2-methoxyethyl)-6-N-propylpyrimidine-4,6-diamine
CID 80765107
6-N,5-diethyl-4-N-morpholin-4-ylpyrimidine-4,6-diamine
CID 83026987
2-methyl-4-N-(4-methylpiperazin-1-yl)-6-N-propylpyrimidine-4,6-diamine
CID 83027220

Frequently Asked Questions

What is the IUPAC name of 4-N-morpholin-4-yl-6-N-propylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-morpholin-4-yl-6-N-propylpyrimidine-4,6-diamine (CID 83027310) is 4-N-morpholin-4-yl-6-N-propylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-morpholin-4-yl-6-N-propylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-morpholin-4-yl-6-N-propylpyrimidine-4,6-diamine is CCCNc1cc(NN2CCOCC2)ncn1.
What is the InChIKey of 4-N-morpholin-4-yl-6-N-propylpyrimidine-4,6-diamine?
The InChIKey is IWCPIMHQVYOVBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N5O/c1-2-3-12-10-8-11(14-9-13-10)15-16-4-6-17-7-5-16/h8-9H,2-7H2,1H3,(H2,12,13,14,15).
What are the key properties of 4-N-morpholin-4-yl-6-N-propylpyrimidine-4,6-diamine?
4-N-morpholin-4-yl-6-N-propylpyrimidine-4,6-diamine has a molecular weight of 237.31 g/mol, XLogP of 0.96, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-morpholin-4-yl-6-N-propylpyrimidine-4,6-diamine is sourced from PubChem (CID 83027310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).