N-ethyl-6-hydrazinyl-N-(oxolan-2-ylmethyl)-2-propylpyrimidin-4-amine

C14H25N5O — CID 80947627

IUPACN-ethyl-6-hydrazinyl-N-(oxolan-2-ylmethyl)-2-propylpyrimidin-4-amine
SMILESCCCc1nc(NN)cc(N(CC)CC2CCCO2)n1
InChIInChI=1S/C14H25N5O/c1-3-6-12-16-13(18-15)9-14(17-12)19(4-2)10-11-7-5-8-20-11/h9,11H,3-8,10,15H2,1-2H3,(H,16,17,18)
InChIKeyULXMGNCRAFFGTL-UHFFFAOYSA-N
MW279.39 g/mol
LogP1.72
Rot. Bonds7

About N-ethyl-6-hydrazinyl-N-(oxolan-2-ylmethyl)-2-propylpyrimidin-4-amine

N-ethyl-6-hydrazinyl-N-(oxolan-2-ylmethyl)-2-propylpyrimidin-4-amine (PubChem CID 80947627) has the molecular formula C14H25N5O and a molecular weight of 279.39 g/mol. Its IUPAC name is N-ethyl-6-hydrazinyl-N-(oxolan-2-ylmethyl)-2-propylpyrimidin-4-amine.

Molecular Properties

Compound NameN-ethyl-6-hydrazinyl-N-(oxolan-2-ylmethyl)-2-propylpyrimidin-4-amine
PubChem CID80947627
Molecular FormulaC14H25N5O
Molecular Weight279.39 g/mol
Exact Mass279.21
IUPAC NameN-ethyl-6-hydrazinyl-N-(oxolan-2-ylmethyl)-2-propylpyrimidin-4-amine
SMILESCCCc1nc(NN)cc(N(CC)CC2CCCO2)n1
InChIInChI=1S/C14H25N5O/c1-3-6-12-16-13(18-15)9-14(17-12)19(4-2)10-11-7-5-8-20-11/h9,11H,3-8,10,15H2,1-2H3,(H,16,17,18)
InChIKeyULXMGNCRAFFGTL-UHFFFAOYSA-N
XLogP1.72
TPSA76.30 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.39
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-ethyl-6-hydrazinyl-N-methyl-N-(oxan-2-ylmethyl)pyrimidin-4-amine
CID 80937281
6-hydrazinyl-N,N,2-tripropylpyrimidin-4-amine
CID 80947753
4-N-ethyl-2-methyl-4-N-(oxolan-2-ylmethyl)pyrimidine-4,6-diamine
CID 80800047
4-N-ethyl-6-N-methyl-4-N-(oxolan-2-ylmethyl)pyrimidine-4,6-diamine
CID 80798901
6-(2-aminoethyl)-N-ethyl-2-methyl-N-[[(2R)-oxolan-2-yl]methyl]pyrimidin-4-amine
CID 95207222
2-ethyl-6-hydrazinyl-N-(oxolan-2-ylmethyl)pyrimidin-4-amine
CID 80938700
2-cyclopropyl-N,N-diethyl-6-hydrazinylpyrimidin-4-amine
CID 80968922
6-chloro-N-methyl-N-(oxan-2-ylmethyl)-2-propylpyrimidin-4-amine
CID 80938173
6-N-ethyl-6-N-(oxolan-2-ylmethyl)pyridine-2,6-diamine
CID 80646622
6-chloro-N-(oxolan-2-ylmethyl)-2-propylpyrimidin-4-amine
CID 80939617
3-[cyclobutyl-(6-hydrazinyl-2-propylpyrimidin-4-yl)amino]propan-1-ol
CID 102875789
6-chloro-4-N-[[(2S)-oxolan-2-yl]methyl]-4-N-[[(2R)-oxolan-2-yl]methyl]pyrimidine-2,4-diamine
CID 94431568

Frequently Asked Questions

What is the IUPAC name of N-ethyl-6-hydrazinyl-N-(oxolan-2-ylmethyl)-2-propylpyrimidin-4-amine?
The IUPAC name of N-ethyl-6-hydrazinyl-N-(oxolan-2-ylmethyl)-2-propylpyrimidin-4-amine (CID 80947627) is N-ethyl-6-hydrazinyl-N-(oxolan-2-ylmethyl)-2-propylpyrimidin-4-amine.
What is the SMILES notation for N-ethyl-6-hydrazinyl-N-(oxolan-2-ylmethyl)-2-propylpyrimidin-4-amine?
The canonical SMILES for N-ethyl-6-hydrazinyl-N-(oxolan-2-ylmethyl)-2-propylpyrimidin-4-amine is CCCc1nc(NN)cc(N(CC)CC2CCCO2)n1.
What is the InChIKey of N-ethyl-6-hydrazinyl-N-(oxolan-2-ylmethyl)-2-propylpyrimidin-4-amine?
The InChIKey is ULXMGNCRAFFGTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N5O/c1-3-6-12-16-13(18-15)9-14(17-12)19(4-2)10-11-7-5-8-20-11/h9,11H,3-8,10,15H2,1-2H3,(H,16,17,18).
What are the key properties of N-ethyl-6-hydrazinyl-N-(oxolan-2-ylmethyl)-2-propylpyrimidin-4-amine?
N-ethyl-6-hydrazinyl-N-(oxolan-2-ylmethyl)-2-propylpyrimidin-4-amine has a molecular weight of 279.39 g/mol, XLogP of 1.72, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-6-hydrazinyl-N-(oxolan-2-ylmethyl)-2-propylpyrimidin-4-amine is sourced from PubChem (CID 80947627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).