N-ethyl-4-(1,4-oxazepan-4-ylmethyl)pyrimidin-2-amine

C12H20N4O — CID 112751266

IUPACN-ethyl-4-(1,4-oxazepan-4-ylmethyl)pyrimidin-2-amine
SMILESCCNc1nccc(CN2CCCOCC2)n1
InChIInChI=1S/C12H20N4O/c1-2-13-12-14-5-4-11(15-12)10-16-6-3-8-17-9-7-16/h4-5H,2-3,6-10H2,1H3,(H,13,14,15)
InChIKeyLLLIURMLTFVLNT-UHFFFAOYSA-N
MW236.32 g/mol
LogP1.13
Rot. Bonds4

About N-ethyl-4-(1,4-oxazepan-4-ylmethyl)pyrimidin-2-amine

N-ethyl-4-(1,4-oxazepan-4-ylmethyl)pyrimidin-2-amine (PubChem CID 112751266) has the molecular formula C12H20N4O and a molecular weight of 236.32 g/mol. Its IUPAC name is N-ethyl-4-(1,4-oxazepan-4-ylmethyl)pyrimidin-2-amine.

Molecular Properties

Compound NameN-ethyl-4-(1,4-oxazepan-4-ylmethyl)pyrimidin-2-amine
PubChem CID112751266
Molecular FormulaC12H20N4O
Molecular Weight236.32 g/mol
Exact Mass236.16
IUPAC NameN-ethyl-4-(1,4-oxazepan-4-ylmethyl)pyrimidin-2-amine
SMILESCCNc1nccc(CN2CCCOCC2)n1
InChIInChI=1S/C12H20N4O/c1-2-13-12-14-5-4-11(15-12)10-16-6-3-8-17-9-7-16/h4-5H,2-3,6-10H2,1H3,(H,13,14,15)
InChIKeyLLLIURMLTFVLNT-UHFFFAOYSA-N
XLogP1.13
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-ethyl-4-(1,4-oxazepan-4-ylmethyl)pyrimidin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-(1,4-oxazepan-4-ylmethyl)-N-propylpyridin-2-amine
CID 79231488
N-methyl-6-(1,4-oxazepan-4-ylmethyl)pyridin-2-amine
CID 79231761
4-(1,4-oxazepan-4-ylmethyl)-N-propylpyridin-2-amine
CID 55139785
[6-(1,4-oxazepan-4-ylmethyl)-2-pyridinyl]hydrazine
CID 79231202
N-[[4-(1,4-oxazepan-4-ylmethyl)-1,3-thiazol-2-yl]methyl]ethanamine
CID 62974846
2-N-ethyl-4-N-(2-pyrrolidin-1-ylethyl)pyrimidine-2,4-diamine
CID 80833263
4-morpholin-4-yl-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]pyrimidin-2-amine
CID 166228948
2-N,4-N-bis(2-morpholin-4-ylethyl)pyrimidine-2,4-diamine
CID 112887262
N-ethyl-5-(morpholin-4-ylmethyl)pyridin-2-amine
CID 62177527
N-methyl-3-(1,4-oxazepan-4-ylmethyl)pyridin-2-amine
CID 62973167
5-(1,4-oxazepan-4-ylmethyl)pyrazin-2-amine
CID 103056325
N-methyl-6-(morpholin-4-ylmethyl)pyridin-2-amine
CID 79242984

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-(1,4-oxazepan-4-ylmethyl)pyrimidin-2-amine?
The IUPAC name of N-ethyl-4-(1,4-oxazepan-4-ylmethyl)pyrimidin-2-amine (CID 112751266) is N-ethyl-4-(1,4-oxazepan-4-ylmethyl)pyrimidin-2-amine.
What is the SMILES notation for N-ethyl-4-(1,4-oxazepan-4-ylmethyl)pyrimidin-2-amine?
The canonical SMILES for N-ethyl-4-(1,4-oxazepan-4-ylmethyl)pyrimidin-2-amine is CCNc1nccc(CN2CCCOCC2)n1.
What is the InChIKey of N-ethyl-4-(1,4-oxazepan-4-ylmethyl)pyrimidin-2-amine?
The InChIKey is LLLIURMLTFVLNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O/c1-2-13-12-14-5-4-11(15-12)10-16-6-3-8-17-9-7-16/h4-5H,2-3,6-10H2,1H3,(H,13,14,15).
What are the key properties of N-ethyl-4-(1,4-oxazepan-4-ylmethyl)pyrimidin-2-amine?
N-ethyl-4-(1,4-oxazepan-4-ylmethyl)pyrimidin-2-amine has a molecular weight of 236.32 g/mol, XLogP of 1.13, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-(1,4-oxazepan-4-ylmethyl)pyrimidin-2-amine is sourced from PubChem (CID 112751266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).