2-cyclopropyl-6-hydrazinyl-N-(oxan-2-ylmethyl)pyrimidin-4-amine

C13H21N5O — CID 80963825

IUPAC2-cyclopropyl-6-hydrazinyl-N-(oxan-2-ylmethyl)pyrimidin-4-amine
SMILESNNc1cc(NCC2CCCCO2)nc(C2CC2)n1
InChIInChI=1S/C13H21N5O/c14-18-12-7-11(16-13(17-12)9-4-5-9)15-8-10-3-1-2-6-19-10/h7,9-10H,1-6,8,14H2,(H2,15,16,17,18)
InChIKeyQGIUSUSJCHHQTG-UHFFFAOYSA-N
MW263.34 g/mol
LogP1.62
Rot. Bonds5

About 2-cyclopropyl-6-hydrazinyl-N-(oxan-2-ylmethyl)pyrimidin-4-amine

2-cyclopropyl-6-hydrazinyl-N-(oxan-2-ylmethyl)pyrimidin-4-amine (PubChem CID 80963825) has the molecular formula C13H21N5O and a molecular weight of 263.34 g/mol. Its IUPAC name is 2-cyclopropyl-6-hydrazinyl-N-(oxan-2-ylmethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name2-cyclopropyl-6-hydrazinyl-N-(oxan-2-ylmethyl)pyrimidin-4-amine
PubChem CID80963825
Molecular FormulaC13H21N5O
Molecular Weight263.34 g/mol
Exact Mass263.17
IUPAC Name2-cyclopropyl-6-hydrazinyl-N-(oxan-2-ylmethyl)pyrimidin-4-amine
SMILESNNc1cc(NCC2CCCCO2)nc(C2CC2)n1
InChIInChI=1S/C13H21N5O/c14-18-12-7-11(16-13(17-12)9-4-5-9)15-8-10-3-1-2-6-19-10/h7,9-10H,1-6,8,14H2,(H2,15,16,17,18)
InChIKeyQGIUSUSJCHHQTG-UHFFFAOYSA-N
XLogP1.62
TPSA85.09 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 51.62
H-Bond Donors ≤ 53
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-cyclopropyl-6-N-methyl-4-N-(oxan-2-ylmethyl)pyrimidine-4,6-diamine
CID 80961722
2-cyclopropyl-6-N-methyl-4-N-(oxolan-2-ylmethyl)pyrimidine-4,6-diamine
CID 80967552
2-ethyl-6-hydrazinyl-N-(oxolan-2-ylmethyl)pyrimidin-4-amine
CID 80938700
6-hydrazinyl-N-(oxolan-2-ylmethyl)-2-phenylpyrimidin-4-amine
CID 115916260
6-N,2-diethyl-4-N-(oxan-2-ylmethyl)pyrimidine-4,6-diamine
CID 80934388
6-butoxy-2-cyclopropyl-N-(oxolan-2-ylmethyl)pyrimidin-4-amine
CID 82456522
N-cyclopentyl-2-cyclopropyl-6-hydrazinylpyrimidin-4-amine
CID 80968820
6-chloro-2-methyl-N-(oxan-2-ylmethyl)pyrimidin-4-amine
CID 62480935
4-N,6-N-bis(oxolan-2-ylmethyl)pyrimidine-4,6-diamine
CID 112857188
6-N-(oxan-2-ylmethyl)pyridine-2,3,6-triamine
CID 79825613
6-hydrazinyl-2-methyl-N-[2-(oxolan-2-yl)ethyl]pyrimidin-4-amine
CID 80904049
2-cyclopropyl-6-hydrazinyl-N-(3-methylbutyl)pyrimidin-4-amine
CID 80969047

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-6-hydrazinyl-N-(oxan-2-ylmethyl)pyrimidin-4-amine?
The IUPAC name of 2-cyclopropyl-6-hydrazinyl-N-(oxan-2-ylmethyl)pyrimidin-4-amine (CID 80963825) is 2-cyclopropyl-6-hydrazinyl-N-(oxan-2-ylmethyl)pyrimidin-4-amine.
What is the SMILES notation for 2-cyclopropyl-6-hydrazinyl-N-(oxan-2-ylmethyl)pyrimidin-4-amine?
The canonical SMILES for 2-cyclopropyl-6-hydrazinyl-N-(oxan-2-ylmethyl)pyrimidin-4-amine is NNc1cc(NCC2CCCCO2)nc(C2CC2)n1.
What is the InChIKey of 2-cyclopropyl-6-hydrazinyl-N-(oxan-2-ylmethyl)pyrimidin-4-amine?
The InChIKey is QGIUSUSJCHHQTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N5O/c14-18-12-7-11(16-13(17-12)9-4-5-9)15-8-10-3-1-2-6-19-10/h7,9-10H,1-6,8,14H2,(H2,15,16,17,18).
What are the key properties of 2-cyclopropyl-6-hydrazinyl-N-(oxan-2-ylmethyl)pyrimidin-4-amine?
2-cyclopropyl-6-hydrazinyl-N-(oxan-2-ylmethyl)pyrimidin-4-amine has a molecular weight of 263.34 g/mol, XLogP of 1.62, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-6-hydrazinyl-N-(oxan-2-ylmethyl)pyrimidin-4-amine is sourced from PubChem (CID 80963825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).